Chembl265159

Structural Information

Molecular Formula

C₁₀₃H₁₇₄N₂₆O₃₁

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)N

InChI

InChI=1S/C103H174N26O31/c1-17-52(10)79(97(153)120-70(45-59-46-110-62-30-21-20-28-60(59)62)87(143)111-47-74(136)113-68(103(159)160)32-24-27-43-106)126-96(152)78(51(8)9)123-98(154)80(53(11)18-2)125-94(150)71(48-130)121-91(147)67(36-40-76(139)140)118-101(157)83(57(15)132)129-102(158)84(58(16)133)128-99(155)81(54(12)19-3)124-92(148)63(31-23-26-42-105)115-89(145)65(34-38-73(109)135)116-95(151)77(50(6)7)122-85(141)55(13)112-88(144)66(35-39-75(137)138)117-100(156)82(56(14)131)127-93(149)69(44-49(4)5)119-90(146)64(33-37-72(108)134)114-86(142)61(107)29-22-25-41-104/h20-21,28,30,46,49-58,61,63-71,77-84,110,130-133H,17-19,22-27,29,31-45,47-48,104-107H2,1-16H3,(H2,108,134)(H2,109,135)(H,111,143)(H,112,144)(H,113,136)(H,114,142)(H,115,145)(H,116,151)(H,117,156)(H,118,157)(H,119,146)(H,120,153)(H,121,147)(H,122,141)(H,123,154)(H,124,148)(H,125,150)(H,126,152)(H,127,149)(H,128,155)(H,129,158)(H,137,138)(H,139,140)(H,159,160)/t52-,53-,54-,55-,56+,57+,58+,61-,63-,64-,65-,66-,67-,68-,69-,70-,71-,77-,78-,79-,80-,81-,82-,83-,84-/m0/s1

InChIKey

XTATVCOFLWNNKU-IHBLMEQGSA-N

Compound name

(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]hexanoic acid

Related CIDs

• CID 16186555