2-methylpropyl N-[1-cyclohexyl-2-[2-[[(2Z)-2-[(diphenylmethyl)carbamoylhydrazinylidene]-1-[[2-[[2-(methylamino)-2-oxidanylidene-1-phenyl-ethyl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-hexan-3-yl]carbamoyl]-4-(phenylsulfonylamino)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]carbamate

Systemtic Name: 2-methylpropyl N-[1-cyclohexyl-2-[2-[[(2Z)-2-[(diphenylmethyl)carbamoylhydrazinylidene]-1-[[2-[[2-(methylamino)-2-oxidanylidene-1-phenyl-ethyl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-hexan-3-yl]carbamoyl]-4-(phenylsulfonylamino)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]carbamate Openeye Name: isobutyl N-[2-[4-(benzenesulfonamido)-2-[1-[(Z)-N-(benzhydrylcarbamoylamino)-C-[[2-[[2-(methylamino)-2-oxo-1-phenyl-ethyl]amino]-2-oxo-ethyl]carbamoyl]carbonimidoyl]butylcarbamoyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxo-ethyl]carbamate CAS Name: N-[2-[4-(benzenesulfonamido)-2-[[[(2Z)-2-[[[(diphenylmethyl)amino]-oxomethyl]hydrazinylidene]-1-[[2-[[2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1-oxohexan-3-yl]amino]-oxomethyl]-1-pyrrolidinyl]-1-cyclohexyl-2-oxoethyl]carbamic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl N-[2-[4-(benzenesulfonamido)-2-[[(2Z)-2-(benzhydrylcarbamoylhydrazinylidene)-1-[[2-[[2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1-oxohexan-3-yl]carbamoyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate Traditional Name: N-[2-[4-(benzenesulfonamido)-2-[1-[(Z)-N-(benzhydrylcarbamoylamino)-C-[[2-keto-2-[[2-keto-2-(methylamino)-1-phenyl-ethyl]amino]ethyl]carbamoyl]carbonimidoyl]butylcarbamoyl]pyrrolidino]-1-cyclohexyl-2-keto-ethyl]carbamic acid isobutyl ester Formula: C55H70N10O10S MolecularWeight: 1063.2703

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=NNC(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)NCC(=O)NC(C3=CC=CC=C3)C(=O)NC)NC(=O)C4CC(CN4C(=O)C(C5CCCCC5)NC(=O)OCC(C)C)NS(=O)(=O)C6=CC=CC=C6

Isomeric SMILES

CCCC(/C(=N/NC(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)/C(=O)NCC(=O)NC(C3=CC=CC=C3)C(=O)NC)NC(=O)C4CC(CN4C(=O)C(C5CCCCC5)NC(=O)OCC(C)C)NS(=O)(=O)C6=CC=CC=C6

InChI

InChI=1S/C55H70N10O10S/c1-5-21-43(58-50(67)44-32-41(64-76(73,74)42-30-19-10-20-31-42)34-65(44)53(70)48(40-28-17-9-18-29-40)61-55(72)75-35-36(2)3)49(52(69)57-33-45(66)59-47(51(68)56-4)39-26-15-8-16-27-39)62-63-54(71)60-46(37-22-11-6-12-23-37)38-24-13-7-14-25-38/h6-8,10-16,19-20,22-27,30-31,36,40-41,43-44,46-48,64H,5,9,17-18,21,28-29,32-35H2,1-4H3,(H,56,68)(H,57,69)(H,58,67)(H,59,66)(H,61,72)(H2,60,63,71)/b62-49-