6-[2,5-bis(oxidanylidene)pyrrol-1-yl]-N-[(E)-1-[4-[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]-3-phenyl-propoxy]phenyl]ethylideneamino]hexanamide

Systemtic Name: 6-[2,5-bis(oxidanylidene)pyrrol-1-yl]-N-[(E)-1-[4-[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]-3-phenyl-propoxy]phenyl]ethylideneamino]hexanamide Openeye Name: N-[(E)-1-[4-[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]-3-phenyl-propoxy]phenyl]ethylideneamino]-6-(2,5-dioxopyrrol-1-yl)hexanamide CAS Name: N-[(E)-1-[4-[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]-3-phenylpropoxy]phenyl]ethylideneamino]-6-(2,5-dioxo-1-pyrrolyl)hexanamide IUPAC Name: N-[(E)-1-[4-[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]-3-phenylpropoxy]phenyl]ethylideneamino]-6-(2,5-dioxopyrrol-1-yl)hexanamide Traditional Name: N-[(E)-1-[4-[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]-3-phenyl-propoxy]phenyl]ethylideneamino]-6-maleimido-hexanamide Formula: C58H88N8O10 MolecularWeight: 1057.36692

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(CC2=CC=CC=C2)COC3=CC=C(C=C3)C(=NNC(=O)CCCCCN4C(=O)C=CC4=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(CC2=CC=CC=C2)COC3=CC=C(C=C3)/C(=N/NC(=O)CCCCCN4C(=O)C=CC4=O)/C)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C

InChI

InChI=1S/C58H88N8O10/c1-14-39(6)54(64(11)58(73)52(37(2)3)60-57(72)53(38(4)5)63(9)10)47(74-12)35-51(70)65-33-21-24-46(65)55(75-13)40(7)56(71)59-44(34-42-22-17-15-18-23-42)36-76-45-28-26-43(27-29-45)41(8)61-62-48(67)25-19-16-20-32-66-49(68)30-31-50(66)69/h15,17-18,22-23,26-31,37-40,44,46-47,52-55H,14,16,19-21,24-25,32-36H2,1-13H3,(H,59,71)(H,60,72)(H,62,67)/b61-41+