Lkiedsdtyicevedqke

Structural Information

Molecular Formula

C₉₈H₁₅₁N₂₁O₃₇S

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

InChI

InChI=1S/C98H151N21O37S/c1-10-49(7)78(117-86(143)57(22-16-18-38-100)103-81(138)55(101)39-47(3)4)95(152)108-60(29-34-71(126)127)85(142)111-65(42-75(134)135)89(146)114-67(44-120)92(149)112-66(43-76(136)137)91(148)119-80(51(9)121)97(154)113-63(40-52-23-25-54(122)26-24-52)90(147)118-79(50(8)11-2)96(153)115-68(46-157-45-53-19-13-12-14-20-53)93(150)106-61(30-35-72(128)129)87(144)116-77(48(5)6)94(151)107-59(28-33-70(124)125)84(141)110-64(41-74(132)133)88(145)105-58(27-32-69(102)123)83(140)104-56(21-15-17-37-99)82(139)109-62(98(155)156)31-36-73(130)131/h12-14,19-20,23-26,47-51,55-68,77-80,120-122H,10-11,15-18,21-22,27-46,99-101H2,1-9H3,(H2,102,123)(H,103,138)(H,104,140)(H,105,145)(H,106,150)(H,107,151)(H,108,152)(H,109,139)(H,110,141)(H,111,142)(H,112,149)(H,113,154)(H,114,146)(H,115,153)(H,116,144)(H,117,143)(H,118,147)(H,119,148)(H,124,125)(H,126,127)(H,128,129)(H,130,131)(H,132,133)(H,134,135)(H,136,137)(H,155,156)/t49-,50-,51+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,77-,78-,79-,80-/m0/s1

InChIKey

WWIMHLKMYHRFJF-QVCATBSVSA-N

Compound name

(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]pentanedioic acid

Related CIDs

• CID 16197273