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Structural Information

Molecular Formula

C₁₀₆H₁₅₇N₂₃O₂₈

SMILES

C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CCCCN)N

InChI

InChI=1S/C106H157N23O28/c1-57(2)48-76(127-105(155)88(59(5)6)129-97(147)75(41-43-85(133)134)119-96(146)74(40-42-84(131)132)120-100(150)78(50-63-26-12-10-13-27-63)122-90(140)60(7)113-92(142)69(111)31-18-22-44-107)98(148)115-61(8)89(139)116-72(34-20-24-46-109)94(144)117-73(35-21-25-47-110)95(145)123-79(51-64-28-14-11-15-29-64)101(151)124-80(52-65-36-38-67(130)39-37-65)102(152)126-82(54-86(135)136)104(154)118-71(33-19-23-45-108)93(143)114-62(9)91(141)121-77(49-58(3)4)99(149)125-81(103(153)128-83(106(156)157)55-87(137)138)53-66-56-112-70-32-17-16-30-68(66)70/h10-17,26-30,32,36-39,56-62,69,71-83,88,112,130H,18-25,31,33-35,40-55,107-111H2,1-9H3,(H,113,142)(H,114,143)(H,115,148)(H,116,139)(H,117,144)(H,118,154)(H,119,146)(H,120,150)(H,121,141)(H,122,140)(H,123,145)(H,124,151)(H,125,149)(H,126,152)(H,127,155)(H,128,153)(H,129,147)(H,131,132)(H,133,134)(H,135,136)(H,137,138)(H,156,157)/t60-,61-,62-,69-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,88-/m0/s1

InChIKey

FUXGIABGUGPSHT-CTNRBZHLSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-carboxy-2-[[(2S)-4-carboxy-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]butanoyl]amino]butanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]butanedioic acid

Related CIDs

• CID 16133925