| Chemical Identifiers |
- Formula
- C142H226N40O48
- IUPAC Name
(4S)-4-[[(2S)-2-[[(2S)-2-[2-[6-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-5-amino-1-[[(4S,7R)-7-[[(2S)-1-[(2S)-6-amino-2-[[(2R)-2-[[(2S)-5-amino-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-4-carboxy-2-hydrazinylbutanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-2-methyl-5,6-dioxooctan-4-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-6-oxohexyl]hydrazinyl]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-5-[[(2S)-1-[[(2S,3S)-1-[[(2S)-4-amino-1-[[(2S)-1-hydroxy-3-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid - Canonical SMILES
-
CC[C@@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C(CCCCNN[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C=O)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NN
- InChI
-
InChI=1S/C142H226N40O48/c1-12-71(6)110(176-124(213)83(36-22-25-51-143)158-125(214)89(180-152)45-50-108(201)202)137(226)163-85(41-46-102(146)193)118(207)156-73(8)116(205)165-90(38-23-26-52-144)141(230)182-55-29-40-101(182)135(224)155-72(7)114(203)115(204)91(56-69(2)3)166-120(209)86(42-47-103(147)194)164-138(227)113(76(11)192)179-136(225)109(70(4)5)175-123(212)84(39-28-53-153-142(150)151)160-127(216)92(57-77-30-16-13-17-31-77)168-119(208)82(159-128(217)93(58-78-32-18-14-19-33-78)169-133(222)98(66-187)171-121(210)87(43-48-106(197)198)162-132(221)99(67-188)174-140(229)112(75(10)191)177-129(218)95(61-105(149)196)167-117(206)81(145)64-185)37-24-27-54-154-181-96(59-79-34-20-15-21-35-79)130(219)173-97(65-186)131(220)161-88(44-49-107(199)200)122(211)172-100(68-189)134(223)178-111(74(9)190)139(228)170-94(60-104(148)195)126(215)157-80(62-183)63-184/h13-21,30-35,62,69-76,80-101,109-113,154,180-181,184-192H,12,22-29,36-61,63-68,143-145,152H2,1-11H3,(H2,146,193)(H2,147,194)(H2,148,195)(H2,149,196)(H,155,224)(H,156,207)(H,157,215)(H,158,214)(H,159,217)(H,160,216)(H,161,220)(H,162,221)(H,163,226)(H,164,227)(H,165,205)(H,166,209)(H,167,206)(H,168,208)(H,169,222)(H,170,228)(H,171,210)(H,172,211)(H,173,219)(H,174,229)(H,175,212)(H,176,213)(H,177,218)(H,178,223)(H,179,225)(H,197,198)(H,199,200)(H,201,202)(H4,150,151,153)/t71-,72-,73-,74+,75+,76+,80-,81+,82?,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,109+,110+,111+,112+,113+/m1/s1
- InChIKey
-
YQYGGOPUTPQHAY-KIQLFZLRSA-N
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