Qgcwkcgktghvmakcperqag

Structural Information

Molecular Formula

C₉₈H₁₅₉N₃₃O₂₈S₄

SMILES

C[C@H]([C@@H](C(=O)NCC(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)NCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CCC(=O)N)N)O

InChI

InChI=1S/C98H159N33O28S4/c1-49(2)78(96(158)125-64(30-36-163-6)85(147)116-51(4)81(143)120-59(20-10-13-32-100)88(150)128-69(47-162)97(159)131-35-16-23-70(131)94(156)124-63(26-29-76(138)139)89(151)121-61(22-15-34-108-98(105)106)86(148)123-62(25-28-72(104)134)84(146)115-50(3)80(142)113-44-77(140)141)129-92(154)66(38-54-40-107-48-114-54)118-74(136)43-112-95(157)79(52(5)132)130-90(152)58(19-9-12-31-99)117-73(135)42-111-83(145)67(45-160)127-87(149)60(21-11-14-33-101)122-91(153)65(37-53-39-109-57-18-8-7-17-55(53)57)126-93(155)68(46-161)119-75(137)41-110-82(144)56(102)24-27-71(103)133/h7-8,17-18,39-40,48-52,56,58-70,78-79,109,132,160-162H,9-16,19-38,41-47,99-102H2,1-6H3,(H2,103,133)(H2,104,134)(H,107,114)(H,110,144)(H,111,145)(H,112,157)(H,113,142)(H,115,146)(H,116,147)(H,117,135)(H,118,136)(H,119,137)(H,120,143)(H,121,151)(H,122,153)(H,123,148)(H,124,156)(H,125,158)(H,126,155)(H,127,149)(H,128,150)(H,129,154)(H,130,152)(H,138,139)(H,140,141)(H4,105,106,108)/t50-,51-,52+,56-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,78-,79-/m0/s1

InChIKey

WQPJMKIWRHGVEK-XMWZSDISSA-N

Compound name

(4S)-4-[[(2S)-1-[(2R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[2-[[(2R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-[[2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]acetyl]amino]-3-sulfanylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-3-sulfanylpropanoyl]amino]acetyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoyl]amino]-4-methylsulfanylbutanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]-5-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16130367