86278355 -OEChem-08192221162D 156158 0 1 0 0 0 0 0999 V2000 23.9936 4.6754 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.4160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1263 -0.2553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4321 -0.6154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.9160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1478 2.7302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2089 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.9160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.4160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2304 3.8106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9058 2.7913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5504 5.4073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.7961 6.7116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2138 7.4160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2731 0.6717 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6126 1.0830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.9160 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0499 2.1122 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6952 2.1633 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5209 3.9128 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.9826 4.8845 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0840 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6551 0.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.9160 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9641 1.6228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 1.6228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.4160 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2242 0.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6615 1.3920 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9184 0.7228 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9673 1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4536 2.3701 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7320 -0.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.4160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1968 3.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5026 2.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3557 1.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3068 1.4431 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 -2.4160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8205 0.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9888 4.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5147 0.4649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.9160 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0773 -0.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4657 0.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7715 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.4160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7441 2.4723 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0010 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.4160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5362 3.4505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.4160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2794 4.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5852 3.7595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4383 2.8324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9031 1.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3894 2.5234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1325 3.1925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0836 2.8835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8267 3.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7778 3.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -7.4160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9991 4.5709 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 22.3299 5.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4991 3.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4164 4.9073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4003 5.5890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3949 5.6935 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.8016 6.6070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2215 -0.3019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0887 0.9239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3451 0.1348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0289 2.2394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3576 1.7517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5706 1.7517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8993 2.2394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1223 1.8068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5080 0.5312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2584 1.5793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4788 1.4136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3247 2.9766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -0.3791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.6060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -1.4530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5253 2.5135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7716 3.2715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6941 3.2688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9129 2.8707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3110 2.0895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1779 2.0495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 -2.4160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.0360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 -2.4160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2140 -0.0241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9494 -0.5016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4269 0.2337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.6060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5953 4.1463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8599 4.6238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3824 3.8885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9250 0.6565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.6060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8858 -1.1540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6670 -0.7559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2689 0.0253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9210 2.7186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2742 -0.4338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0554 -0.0357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6573 0.7456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3567 0.2565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3108 -0.6191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1864 -0.6650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -3.8334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -4.5237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8730 1.8659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4073 4.0569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6942 3.6588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7401 4.5344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8645 4.5803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7767 4.3491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9955 3.9511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3936 3.1698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2966 1.0562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0320 0.5787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5095 1.3140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.6060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.6060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0983 1.9760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8780 2.1417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.2260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4236 3.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6440 3.5742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7925 2.3361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5722 2.5018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1178 4.1001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3382 3.9344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -7.2260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -7.2260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4867 2.6962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2664 2.8619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -8.0360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2213 5.1497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8315 5.6784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0199 5.8510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.4436 6.2074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.7988 5.7389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.0115 5.7583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.5992 4.9493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.7305 4.3181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.0483 7.2780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 67 1 0 0 0 0 1 71 1 0 0 0 0 24 2 1 6 0 0 0 2 39 1 0 0 0 0 30 3 1 6 0 0 0 3 44 1 0 0 0 0 4 28 2 0 0 0 0 5 34 2 0 0 0 0 6 37 2 0 0 0 0 7 49 2 0 0 0 0 8 50 1 0 0 0 0 8136 1 0 0 0 0 9 50 2 0 0 0 0 10 55 2 0 0 0 0 11 69 2 0 0 0 0 12 70 2 0 0 0 0 13 73 1 0 0 0 0 13156 1 0 0 0 0 14 73 2 0 0 0 0 15 22 1 0 0 0 0 15 26 1 0 0 0 0 15 28 1 0 0 0 0 29 16 1 6 0 0 0 16 37 1 0 0 0 0 16 40 1 0 0 0 0 17 34 1 0 0 0 0 43 17 1 6 0 0 0 17103 1 0 0 0 0 38 18 1 1 0 0 0 18 49 1 0 0 0 0 18112 1 0 0 0 0 48 19 1 6 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 65 1 0 0 0 0 20 69 1 0 0 0 0 20 70 1 0 0 0 0 72 21 1 1 0 0 0 21154 1 0 0 0 0 21155 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 74 1 1 0 0 0 23 25 1 0 0 0 0 23 75 1 0 0 0 0 23 76 1 0 0 0 0 24 27 1 0 0 0 0 24 77 1 0 0 0 0 25 26 1 0 0 0 0 25 78 1 0 0 0 0 25 79 1 0 0 0 0 26 80 1 0 0 0 0 26 81 1 0 0 0 0 27 33 1 6 0 0 0 27 34 1 0 0 0 0 27 82 1 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 29 32 1 0 0 0 0 29 83 1 0 0 0 0 30 31 1 0 0 0 0 30 84 1 0 0 0 0 31 85 1 0 0 0 0 31 86 1 0 0 0 0 32 35 1 0 0 0 0 32 36 1 1 0 0 0 32 87 1 0 0 0 0 33 88 1 0 0 0 0 33 89 1 0 0 0 0 33 90 1 0 0 0 0 35 41 1 0 0 0 0 35 91 1 0 0 0 0 35 92 1 0 0 0 0 36 93 1 0 0 0 0 36 94 1 0 0 0 0 36 95 1 0 0 0 0 37 38 1 0 0 0 0 38 42 1 0 0 0 0 38 96 1 0 0 0 0 39 97 1 0 0 0 0 39 98 1 0 0 0 0 39 99 1 0 0 0 0 40100 1 0 0 0 0 40101 1 0 0 0 0 40102 1 0 0 0 0 41104 1 0 0 0 0 41105 1 0 0 0 0 41106 1 0 0 0 0 42 45 1 0 0 0 0 42 46 1 0 0 0 0 42107 1 0 0 0 0 43 47 1 0 0 0 0 43 50 1 0 0 0 0 43108 1 0 0 0 0 44109 1 0 0 0 0 44110 1 0 0 0 0 44111 1 0 0 0 0 45113 1 0 0 0 0 45114 1 0 0 0 0 45115 1 0 0 0 0 46116 1 0 0 0 0 46117 1 0 0 0 0 46118 1 0 0 0 0 47 52 1 0 0 0 0 47119 1 0 0 0 0 47120 1 0 0 0 0 48 49 1 0 0 0 0 48 51 1 0 0 0 0 48121 1 0 0 0 0 51 53 1 0 0 0 0 51 54 1 0 0 0 0 51122 1 0 0 0 0 52 57 2 0 0 0 0 52 58 1 0 0 0 0 53123 1 0 0 0 0 53124 1 0 0 0 0 53125 1 0 0 0 0 54126 1 0 0 0 0 54127 1 0 0 0 0 54128 1 0 0 0 0 55 59 1 0 0 0 0 56129 1 0 0 0 0 56130 1 0 0 0 0 56131 1 0 0 0 0 57 63 1 0 0 0 0 57132 1 0 0 0 0 58 64 2 0 0 0 0 58133 1 0 0 0 0 59 60 1 0 0 0 0 59134 1 0 0 0 0 59135 1 0 0 0 0 60 61 1 0 0 0 0 60137 1 0 0 0 0 60138 1 0 0 0 0 61 62 1 0 0 0 0 61139 1 0 0 0 0 61140 1 0 0 0 0 62 65 1 0 0 0 0 62141 1 0 0 0 0 62142 1 0 0 0 0 63 66 2 0 0 0 0 63143 1 0 0 0 0 64 66 1 0 0 0 0 64144 1 0 0 0 0 65145 1 0 0 0 0 65146 1 0 0 0 0 66147 1 0 0 0 0 67 68 1 0 0 0 0 67 69 1 0 0 0 0 67148 1 0 0 0 0 68 70 1 0 0 0 0 68149 1 0 0 0 0 68150 1 0 0 0 0 71 72 1 0 0 0 0 71151 1 0 0 0 0 71152 1 0 0 0 0 72 73 1 0 0 0 0 72153 1 0 0 0 0 M END > 86278355 > 1 > 1880 > 15 > 5 > 31 > AAADcfB/vABAAAAAAAAAAAAAAAAAAWLAAAAwAAAAAAAAAAABAAAAHgQQCAAADTzl2AayCIPABgiIAiHSGAACAAAgABAIiIGIAIgKYDagkTGVYAAmtiC4iAed2OKOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-[6-[3-[(2R)-2-amino-2-carboxy-ethyl]sulfanyl-2,5-dioxo-pyrrolidin-1-yl]hexanoyl-methyl-amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]-methyl-amino]-3-methoxy-5-methyl-heptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methyl-propanoyl]amino]-3-phenyl-propanoic acid > (2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-[[6-[3-[[(2R)-2-amino-2-carboxyethyl]thio]-2,5-dioxo-1-pyrrolidinyl]-1-oxohexyl]-methylamino]-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxobutyl]-methylamino]-3-methoxy-5-methyl-1-oxoheptyl]-2-pyrrolidinyl]-3-methoxy-2-methyl-1-oxopropyl]amino]-3-phenylpropanoic acid > (2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-[6-[3-[(2R)-2-amino-2-carboxyethyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]hexanoyl-methylamino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoic acid > (2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-[6-[3-[(2R)-2-amino-2-carboxyethyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]hexanoyl-methylamino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoic acid > (2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-[6-[3-[(2R)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]hexanoyl-methyl-amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]-methyl-amino]-3-methoxy-5-methyl-heptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methyl-propanoyl]amino]-3-phenyl-propanoic acid > (2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-[6-[3-[[(2R)-2-amino-2-carboxy-ethyl]thio]-2,5-diketo-pyrrolidino]hexanoyl-methyl-amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]-methyl-amino]-3-methoxy-5-methyl-heptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methyl-propanoyl]amino]-3-phenyl-propionic acid > InChI=1S/C52H83N7O13S/c1-12-32(6)45(38(71-10)27-41(61)58-25-19-22-37(58)46(72-11)33(7)47(63)54-36(52(69)70)26-34-20-15-13-16-21-34)57(9)50(66)43(30(2)3)55-48(64)44(31(4)5)56(8)40(60)23-17-14-18-24-59-42(62)28-39(49(59)65)73-29-35(53)51(67)68/h13,15-16,20-21,30-33,35-39,43-46H,12,14,17-19,22-29,53H2,1-11H3,(H,54,63)(H,55,64)(H,67,68)(H,69,70)/t32-,33+,35-,36-,37-,38+,39?,43-,44-,45-,46+/m0/s1 > BXTJCSYMGFJEID-XMTADJHZSA-N > 1.4 > 1045.57695690 > C52H83N7O13S > 1046.3 > CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(CC2=CC=CC=C2)C(=O)O)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C(=O)CCCCCN3C(=O)CC(C3=O)SCC(C(=O)O)N > CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)CCCCCN3C(=O)CC(C3=O)SC[C@@H](C(=O)O)N > 301 > 1045.57695690 > 0 > 73 > 10 > 1 > 0 > 0 > 0 > 1 > 192 > 1 5 255 > 67 1 3 29 16 6 43 17 6 38 18 5 48 19 6 24 2 6 72 21 5 22 74 5 27 33 6 30 3 6 32 36 5 52 57 8 52 58 8 57 63 8 58 64 8 63 66 8 64 66 8 $$$$