[2-[[3-[1-[4-[[2-[[2-(dimethylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoyl]-methyl-amino]-3-methoxy-5-methyl-heptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methyl-propanoyl]amino]-1-phenyl-propyl] (5E)-5-[6-[2,5-bis(oxidanylidene)pyrrol-1-yl]hexanoylhydrazinylidene]hexanoate

Systemtic Name: [2-[[3-[1-[4-[[2-[[2-(dimethylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoyl]-methyl-amino]-3-methoxy-5-methyl-heptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methyl-propanoyl]amino]-1-phenyl-propyl] (5E)-5-[6-[2,5-bis(oxidanylidene)pyrrol-1-yl]hexanoylhydrazinylidene]hexanoate Openeye Name: [2-[[3-[1-[4-[[2-[[2-(dimethylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoyl]-methyl-amino]-3-methoxy-5-methyl-heptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methyl-propanoyl]amino]-1-phenyl-propyl] (5E)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylhydrazono]hexanoate CAS Name: (5E)-5-[[6-(2,5-dioxo-1-pyrrolyl)-1-oxohexyl]hydrazinylidene]hexanoic acid [2-[[3-[1-[4-[[2-[[2-(dimethylamino)-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxobutyl]-methylamino]-3-methoxy-5-methyl-1-oxoheptyl]-2-pyrrolidinyl]-3-methoxy-2-methyl-1-oxopropyl]amino]-1-phenylpropyl] ester IUPAC Name: [2-[[3-[1-[4-[[2-[[2-(dimethylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-1-phenylpropyl] (5E)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylhydrazinylidene]hexanoate Traditional Name: (5E)-5-(6-maleimidohexanoylhydrazono)hexanoic acid [2-[[3-[1-[4-[[2-[[2-(dimethylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoyl]-methyl-amino]-3-methoxy-5-methyl-heptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methyl-propanoyl]amino]-1-phenyl-propyl] ester Formula: C56H90N8O11 MolecularWeight: 1051.3608

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(C)C(C2=CC=CC=C2)OC(=O)CCCC(=NNC(=O)CCCCCN3C(=O)C=CC3=O)C)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C

Isomeric SMILES

CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(C)C(C2=CC=CC=C2)OC(=O)CCC/C(=N/NC(=O)CCCCCN3C(=O)C=CC3=O)/C)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C

InChI

InChI=1S/C56H90N8O11/c1-15-37(6)51(62(12)56(72)49(35(2)3)58-55(71)50(36(4)5)61(10)11)43(73-13)34-47(68)63-33-23-27-42(63)52(74-14)39(8)54(70)57-40(9)53(41-25-18-16-19-26-41)75-48(69)29-22-24-38(7)59-60-44(65)28-20-17-21-32-64-45(66)30-31-46(64)67/h16,18-19,25-26,30-31,35-37,39-40,42-43,49-53H,15,17,20-24,27-29,32-34H2,1-14H3,(H,57,70)(H,58,71)(H,60,65)/b59-38+