Nh2-l-glu-l-asp-l-val-l-val-l-cys-l-cys-acp-d-lys-gly-d-ser-d-leu-d-val-d-ile-d-arg-gly-d-val-d-ile-d-val-d-val-d-cys-l-lys-cooh

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

InChI

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

InChIKey

WOAOXQNHBPRGQL-XCKZFNEKSA-N

Compound name

(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R,3R)-2-[[(2R)-2-[[2-[[(2R)-2-[[(2R,3R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[2-[[(2R)-6-amino-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]hexanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-sulfanylpropanoyl]amino]hexanoic acid

Related CIDs

• CID 16130894