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

Structural Information

Molecular Formula

C₉₇H₁₇₅N₂₇O₂₇S₃

SMILES

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

InChI

InChI=1S/C97H175N27O27S3/c1-19-53(17)76(123-83(137)58(31-27-37-105-97(102)103)109-67(127)41-107-88(142)70(47(5)6)119-95(149)77(54(18)20-2)124-93(147)75(52(15)16)121-91(145)73(50(11)12)117-79(133)56(101)43-152)94(148)122-71(48(7)8)89(143)113-61(38-46(3)4)84(138)114-63(42-125)81(135)106-40-66(126)108-57(28-21-24-34-98)80(134)104-36-26-23-29-59(82(136)111-60(96(150)151)30-22-25-35-99)110-86(140)64(44-153)115-87(141)65(45-154)116-90(144)72(49(9)10)120-92(146)74(51(13)14)118-85(139)62(39-69(130)131)112-78(132)55(100)32-33-68(128)129/h46-65,70-77,125,152-154H,19-45,98-101H2,1-18H3,(H,104,134)(H,106,135)(H,107,142)(H,108,126)(H,109,127)(H,110,140)(H,111,136)(H,112,132)(H,113,143)(H,114,138)(H,115,141)(H,116,144)(H,117,133)(H,118,139)(H,119,149)(H,120,146)(H,121,145)(H,122,148)(H,123,137)(H,124,147)(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-/m0/s1

InChIKey

AQFGRTCPKNNPQI-CNUVTVQYSA-N

Compound name

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

Related CIDs

• CID 16130891