Kiedsdtyicevedqkee

Structural Information

Molecular Formula

C₉₇H₁₄₇N₂₁O₃₉S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CSCC2=CC=CC=C2)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CCCCN)N

InChI

InChI=1S/C97H147N21O39S/c1-8-47(5)77(116-80(139)53(100)19-13-15-37-98)94(153)107-58(28-34-70(127)128)85(144)110-63(41-74(135)136)88(147)113-65(43-119)91(150)111-64(42-75(137)138)90(149)118-79(49(7)120)96(155)112-61(39-50-21-23-52(121)24-22-50)89(148)117-78(48(6)9-2)95(154)114-66(45-158-44-51-17-11-10-12-18-51)92(151)105-59(29-35-71(129)130)86(145)115-76(46(3)4)93(152)106-57(27-33-69(125)126)84(143)109-62(40-73(133)134)87(146)104-55(25-31-67(101)122)82(141)102-54(20-14-16-38-99)81(140)103-56(26-32-68(123)124)83(142)108-60(97(156)157)30-36-72(131)132/h10-12,17-18,21-24,46-49,53-66,76-79,119-121H,8-9,13-16,19-20,25-45,98-100H2,1-7H3,(H2,101,122)(H,102,141)(H,103,140)(H,104,146)(H,105,151)(H,106,152)(H,107,153)(H,108,142)(H,109,143)(H,110,144)(H,111,150)(H,112,155)(H,113,147)(H,114,154)(H,115,145)(H,116,139)(H,117,148)(H,118,149)(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H,131,132)(H,133,134)(H,135,136)(H,137,138)(H,156,157)/t47-,48-,49+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,76-,77-,78-,79-/m0/s1

InChIKey

RJSCJZANXTXCNH-CVYXFQPGSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-3-benzylsulfanyl-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-3-carboxy-2-[[(2S)-2-[[(2S)-3-carboxy-2-[[(2S)-4-carboxy-2-[[(2S,3S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-methylpentanoyl]amino]butanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-3-methylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid

Related CIDs

• CID 16197274