[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] (6Z)-6-[6-[2,5-bis(oxidanylidene)pyrrol-1-yl]hexanoylhydrazinylidene]-6-phenyl-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] (6Z)-6-[6-[2,5-bis(oxidanylidene)pyrrol-1-yl]hexanoylhydrazinylidene]-6-phenyl-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] (6Z)-6-[6-(2,5-dioxopyrrol-1-yl)hexanoylhydrazono]-6-phenyl-hexanoate CAS Name: (6Z)-6-[[6-(2,5-dioxo-1-pyrrolyl)-1-oxohexyl]hydrazinylidene]-6-phenylhexanoic 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] (6Z)-6-[6-(2,5-dioxopyrrol-1-yl)hexanoylhydrazinylidene]-6-phenylhexanoate Traditional Name: (6Z)-6-(6-maleimidohexanoylhydrazono)-6-phenyl-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: C62H94N8O11 MolecularWeight: 1127.45676

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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)CCCCC(=NNC(=O)CCCCCN3C(=O)C=CC3=O)C4=CC=CC=C4)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)CCCC/C(=N/NC(=O)CCCCCN3C(=O)C=CC3=O)/C4=CC=CC=C4)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C

InChI

InChI=1S/C62H94N8O11/c1-14-42(6)57(68(11)62(78)55(40(2)3)64-61(77)56(41(4)5)67(9)10)49(79-12)39-53(74)69-38-26-32-48(69)58(80-13)43(7)60(76)63-44(8)59(46-29-20-16-21-30-46)81-54(75)34-24-23-31-47(45-27-18-15-19-28-45)65-66-50(71)33-22-17-25-37-70-51(72)35-36-52(70)73/h15-16,18-21,27-30,35-36,40-44,48-49,55-59H,14,17,22-26,31-34,37-39H2,1-13H3,(H,63,76)(H,64,77)(H,66,71)/b65-47-