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

Structural Information

Molecular Formula

C₉₇H₁₇₄N₂₆O₂₇S₃

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)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](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/C97H174N26O27S3/c1-19-54(17)77(122-84(137)59(31-28-38-105-97(101)102)109-68(127)42-107-88(141)71(48(5)6)118-95(148)78(55(18)20-2)123-93(146)76(53(15)16)120-91(144)74(51(11)12)116-80(133)57(100)44-151)94(147)121-72(49(7)8)89(142)112-61(39-47(3)4)85(138)113-63(43-124)82(135)106-41-67(126)108-58(29-23-25-35-98)81(134)103-37-27-24-30-60(96(149)150)110-66(125)32-22-21-26-36-104-83(136)64(45-152)114-87(140)65(46-153)115-90(143)73(50(9)10)119-92(145)75(52(13)14)117-86(139)62(40-70(130)131)111-79(132)56(99)33-34-69(128)129/h47-65,71-78,124,151-153H,19-46,98-100H2,1-18H3,(H,103,134)(H,104,136)(H,106,135)(H,107,141)(H,108,126)(H,109,127)(H,110,125)(H,111,132)(H,112,142)(H,113,138)(H,114,140)(H,115,143)(H,116,133)(H,117,139)(H,118,148)(H,119,145)(H,120,144)(H,121,147)(H,122,137)(H,123,146)(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-/m0/s1

InChIKey

CGXLDVLKNGDEKW-GVUBVZJUSA-N

Compound name

(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-[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]hexanoic acid

Related CIDs

• CID 16130890