Nh2-l-glu-l-asp-l-val-l-val-l-cys-l-cys-acp-l-lys*-(d-cys-d-val-d-val-d-ile-d-val-gly-d-arg-d-ile-d-val-d-leu-d-ser-gly-d-lys-nh2)

Structural Information

Molecular Formula

C₉₇H₁₇₄N₂₆O₂₇S₃

SMILES

CC[C@@H](C)[C@H](C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(C)C)C(=O)N[C@H]([C@H](C)CC)C(=O)N[C@H](C(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@H](CS)C(=O)NCCCC[C@@H](C(=O)O)NC(=O)CCCCCNC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)N)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CO)NC(=O)CNC(=O)[C@@H](CCCCN)N

InChI

InChI=1S/C97H174N26O27S3/c1-19-54(17)77(122-93(146)75(52(13)14)117-84(137)60(39-47(3)4)112-86(139)62(43-124)109-67(126)41-106-79(132)56(99)29-23-25-35-98)94(147)110-58(31-28-38-105-97(101)102)81(134)107-42-68(127)116-71(48(5)6)90(143)123-78(55(18)20-2)95(148)121-76(53(15)16)92(145)120-72(49(7)8)88(141)114-64(45-152)83(136)104-37-27-24-30-59(96(149)150)108-66(125)32-22-21-26-36-103-82(135)63(44-151)113-87(140)65(46-153)115-89(142)73(50(9)10)119-91(144)74(51(11)12)118-85(138)61(40-70(130)131)111-80(133)57(100)33-34-69(128)129/h47-65,71-78,124,151-153H,19-46,98-100H2,1-18H3,(H,103,135)(H,104,136)(H,106,132)(H,107,134)(H,108,125)(H,109,126)(H,110,147)(H,111,133)(H,112,139)(H,113,140)(H,114,141)(H,115,142)(H,116,127)(H,117,137)(H,118,138)(H,119,144)(H,120,145)(H,121,148)(H,122,146)(H,123,143)(H,128,129)(H,130,131)(H,149,150)(H4,101,102,105)/t54-,55-,56-,57+,58-,59+,60-,61+,62-,63+,64-,65+,71-,72-,73+,74+,75-,76-,77-,78-/m1/s1

InChIKey

PQJLKTOFDUGTOP-LOLKUYCKSA-N

Compound name

(2S)-2-[6-[[(2R)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoyl]amino]hexanoylamino]-6-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R,3R)-2-[[(2R)-2-[[2-[[(2R)-5-carbamimidamido-2-[[(2R,3R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[2-[[(2R)-2,6-diaminohexanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]pentanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-sulfanylpropanoyl]amino]hexanoic acid

Related CIDs

• CID 16130893