Nh2-l-glu-l-asp-l-val-l-val-l-cys-l-cys-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

C₉₇H₁₇₅N₂₇O₂₇S₃

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)N[C@@H](CCCCN)C(=O)O)NC(=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/C97H175N27O27S3/c1-19-53(17)76(123-93(147)74(51(13)14)118-83(137)60(38-46(3)4)113-85(139)62(42-125)108-66(126)40-106-78(132)55(100)28-21-24-34-98)94(148)110-57(31-27-37-105-97(102)103)80(134)107-41-67(127)117-70(47(5)6)90(144)124-77(54(18)20-2)95(149)122-75(52(15)16)92(146)121-71(48(7)8)88(142)115-63(43-152)81(135)104-36-26-23-29-58(82(136)111-59(96(150)151)30-22-25-35-99)109-86(140)64(44-153)114-87(141)65(45-154)116-89(143)72(49(9)10)120-91(145)73(50(11)12)119-84(138)61(39-69(130)131)112-79(133)56(101)32-33-68(128)129/h46-65,70-77,125,152-154H,19-45,98-101H2,1-18H3,(H,104,135)(H,106,132)(H,107,134)(H,108,126)(H,109,140)(H,110,148)(H,111,136)(H,112,133)(H,113,139)(H,114,141)(H,115,142)(H,116,143)(H,117,127)(H,118,137)(H,119,138)(H,120,145)(H,121,146)(H,122,149)(H,123,147)(H,124,144)(H,128,129)(H,130,131)(H,150,151)(H4,102,103,105)/t53-,54-,55-,56+,57-,58+,59+,60-,61+,62-,63-,64+,65+,70-,71-,72+,73+,74-,75-,76-,77-/m1/s1

InChIKey

WHFPTWVPEITJGO-YZSBVQPCSA-N

Compound name

(2S)-6-amino-2-[[(2S)-2-[[(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]-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]hexanoyl]amino]hexanoic acid

Related CIDs

• CID 16130895