Nh2-l-glu-l-asp-l-val-l-val-l-cys-l-cys-acp-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-cooh

Structural Information

Molecular Formula

C₉₇H₁₇₃N₂₅O₂₇S₃

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)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)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/C97H173N25O27S3/c1-19-55(17)78(94(146)109-59(31-29-39-104-97(100)101)82(134)106-43-69(127)115-72(49(5)6)90(142)122-79(56(18)20-2)95(147)120-77(54(15)16)92(144)119-74(51(9)10)89(141)114-65(47-152)96(148)149)121-93(145)76(53(13)14)116-84(136)60(40-48(3)4)111-86(138)62(44-123)108-68(126)42-105-81(133)58(30-25-26-36-98)107-67(125)33-24-22-27-37-102-66(124)32-23-21-28-38-103-83(135)63(45-150)112-87(139)64(46-151)113-88(140)73(50(7)8)118-91(143)75(52(11)12)117-85(137)61(41-71(130)131)110-80(132)57(99)34-35-70(128)129/h48-65,72-79,123,150-152H,19-47,98-99H2,1-18H3,(H,102,124)(H,103,135)(H,105,133)(H,106,134)(H,107,125)(H,108,126)(H,109,146)(H,110,132)(H,111,138)(H,112,139)(H,113,140)(H,114,141)(H,115,127)(H,116,136)(H,117,137)(H,118,143)(H,119,144)(H,120,147)(H,121,145)(H,122,142)(H,128,129)(H,130,131)(H,148,149)(H4,100,101,104)/t55-,56-,57+,58-,59-,60-,61+,62-,63+,64+,65-,72-,73+,74+,75+,76-,77-,78-,79-/m1/s1

InChIKey

BJXDNSCNDHQSMP-JCCBILGCSA-N

Compound name

(4S)-4-amino-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2R)-1-[[6-[[6-[[(2R)-6-amino-1-[[2-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R,3R)-1-[[(2R)-5-carbamimidamido-1-[[2-[[(2R)-1-[[(2R,3R)-1-[[(2R)-1-[[(2S)-1-[[(1S)-1-carboxy-2-sulfanylethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16130892