1-[2-cyclohexyl-2-(methylamino)ethanoyl]-N-[(2Z)-2-[(diphenylmethyl)carbamoylhydrazinylidene]-1-[[2-[[2-(methylamino)-2-oxidanylidene-1-phenyl-ethyl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-hexan-3-yl]-4-(phenylsulfonylamino)pyrrolidine-2-carboxamide

Systemtic Name: 1-[2-cyclohexyl-2-(methylamino)ethanoyl]-N-[(2Z)-2-[(diphenylmethyl)carbamoylhydrazinylidene]-1-[[2-[[2-(methylamino)-2-oxidanylidene-1-phenyl-ethyl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-hexan-3-yl]-4-(phenylsulfonylamino)pyrrolidine-2-carboxamide Openeye Name: 4-(benzenesulfonamido)-N-[1-[(Z)-N-(benzhydrylcarbamoylamino)-C-[[2-[[2-(methylamino)-2-oxo-1-phenyl-ethyl]amino]-2-oxo-ethyl]carbamoyl]carbonimidoyl]butyl]-1-[2-cyclohexyl-2-(methylamino)acetyl]pyrrolidine-2-carboxamide CAS Name: 4-(benzenesulfonamido)-1-[2-cyclohexyl-2-(methylamino)-1-oxoethyl]-N-[(2Z)-2-[[[(diphenylmethyl)amino]-oxomethyl]hydrazinylidene]-1-[[2-[[2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1-oxohexan-3-yl]-2-pyrrolidinecarboxamide IUPAC Name: 4-(benzenesulfonamido)-N-[(2Z)-2-(benzhydrylcarbamoylhydrazinylidene)-1-[[2-[[2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1-oxohexan-3-yl]-1-[2-cyclohexyl-2-(methylamino)acetyl]pyrrolidine-2-carboxamide Traditional Name: 4-(benzenesulfonamido)-N-[1-[(Z)-N-(benzhydrylcarbamoylamino)-C-[[2-keto-2-[[2-keto-2-(methylamino)-1-phenyl-ethyl]amino]ethyl]carbamoyl]carbonimidoyl]butyl]-1-[2-cyclohexyl-2-(methylamino)acetyl]pyrrolidine-2-carboxamide Formula: C51H64N10O8S MolecularWeight: 977.18106

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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)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)NS(=O)(=O)C6=CC=CC=C6

InChI

InChI=1S/C51H64N10O8S/c1-4-20-40(55-47(63)41-31-38(60-70(68,69)39-29-18-9-19-30-39)33-61(41)50(66)45(52-2)37-27-16-8-17-28-37)46(49(65)54-32-42(62)56-44(48(64)53-3)36-25-14-7-15-26-36)58-59-51(67)57-43(34-21-10-5-11-22-34)35-23-12-6-13-24-35/h5-7,9-15,18-19,21-26,29-30,37-38,40-41,43-45,52,60H,4,8,16-17,20,27-28,31-33H2,1-3H3,(H,53,64)(H,54,65)(H,55,63)(H,56,62)(H2,57,59,67)/b58-46-