Lkiedsdtyieevedqkee

Structural Information

Molecular Formula

C₁₀₃H₁₅₈N₂₂O₄₀S

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)NC(=O)[C@H](CC(C)C)N

InChI

InChI=1S/C103H158N22O40S/c1-10-51(7)82(123-91(152)59(22-16-18-40-105)108-85(146)57(106)41-49(3)4)100(161)114-63(30-36-75(134)135)90(151)117-68(44-79(142)143)94(155)120-70(46-126)97(158)118-69(45-80(144)145)96(157)125-84(53(9)127)102(163)119-66(42-54-23-25-56(128)26-24-54)95(156)124-83(52(8)11-2)101(162)121-71(48-166-47-55-19-13-12-14-20-55)98(159)112-64(31-37-76(136)137)92(153)122-81(50(5)6)99(160)113-62(29-35-74(132)133)89(150)116-67(43-78(140)141)93(154)111-60(27-33-72(107)129)87(148)109-58(21-15-17-39-104)86(147)110-61(28-34-73(130)131)88(149)115-65(103(164)165)32-38-77(138)139/h12-14,19-20,23-26,49-53,57-71,81-84,126-128H,10-11,15-18,21-22,27-48,104-106H2,1-9H3,(H2,107,129)(H,108,146)(H,109,148)(H,110,147)(H,111,154)(H,112,159)(H,113,160)(H,114,161)(H,115,149)(H,116,150)(H,117,151)(H,118,158)(H,119,163)(H,120,155)(H,121,162)(H,122,153)(H,123,152)(H,124,156)(H,125,157)(H,130,131)(H,132,133)(H,134,135)(H,136,137)(H,138,139)(H,140,141)(H,142,143)(H,144,145)(H,164,165)/t51-,52-,53+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,81-,82-,83-,84-/m0/s1

InChIKey

JZCJYZMQKGZREX-TWJQFEGZSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-benzylsulfanylpropanoyl]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 16197266