Chemical Identifiers |
- Formula
- C52H72I2N14O12S2
- IUPAC Name
(4S,7R,10S,16S,19S)-N-[(2S)-6-amino-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]-19-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-7-benzyl-16-[(4-hydroxy-3,5-diiodophenyl)methyl]-10-(hydroxymethyl)-20,20-dimethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
- Canonical SMILES
-
CC1([C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](CSS1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)CC2=CC=CC=C2)CO)CC3=CC(=C(C(=C3)I)O)I)NC(=O)[C@H](CC4=CC=C(C=C4)O)N)C
- InChI
-
InChI=1S/C52H72I2N14O12S2/c1-52(2)42(68-44(74)33(56)21-28-13-15-30(70)16-14-28)50(80)66-36(23-29-19-31(53)41(72)32(54)20-29)45(75)61-24-40(71)62-38(25-69)48(78)65-37(22-27-9-4-3-5-10-27)47(77)67-39(26-81-82-52)49(79)64-35(11-6-7-17-55)46(76)63-34(43(57)73)12-8-18-60-51(58)59/h3-5,9-10,13-16,19-20,33-39,42,69-70,72H,6-8,11-12,17-18,21-26,55-56H2,1-2H3,(H2,57,73)(H,61,75)(H,62,71)(H,63,76)(H,64,79)(H,65,78)(H,66,80)(H,67,77)(H,68,74)(H4,58,59,60)/t33-,34-,35-,36-,37+,38-,39+,42-/m0/s1
- InChIKey
-
ZHARLIJAVUCVJG-YLYTWGDESA-N
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