1-[2-(tert-butylcarbamoylamino)-2-cyclohexyl-ethanoyl]-N-[1-[[2-[[2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl]amino]-2-oxidanylidene-ethyl]amino]-1,2-bis(oxidanylidene)hexan-3-yl]-4-[(4-ethylphenyl)sulfonylamino]pyrrolidine-2-carboxamide

Systemtic Name: 1-[2-(tert-butylcarbamoylamino)-2-cyclohexyl-ethanoyl]-N-[1-[[2-[[2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl]amino]-2-oxidanylidene-ethyl]amino]-1,2-bis(oxidanylidene)hexan-3-yl]-4-[(4-ethylphenyl)sulfonylamino]pyrrolidine-2-carboxamide Openeye Name: 1-[2-(tert-butylcarbamoylamino)-2-cyclohexyl-acetyl]-N-[1-[2-[[2-[[2-(dimethylamino)-2-oxo-1-phenyl-ethyl]amino]-2-oxo-ethyl]amino]-2-oxo-acetyl]butyl]-4-[(4-ethylphenyl)sulfonylamino]pyrrolidine-2-carboxamide CAS Name: 1-[2-[[(tert-butylamino)-oxomethyl]amino]-2-cyclohexyl-1-oxoethyl]-N-[1-[[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]-4-[(4-ethylphenyl)sulfonylamino]-2-pyrrolidinecarboxamide IUPAC Name: 1-[2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-N-[1-[[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]-4-[(4-ethylphenyl)sulfonylamino]pyrrolidine-2-carboxamide Traditional Name: 1-[2-(tert-butylcarbamoylamino)-2-cyclohexyl-acetyl]-N-[1-[2-[[2-[[2-(dimethylamino)-2-keto-1-phenyl-ethyl]amino]-2-keto-ethyl]amino]-2-keto-acetyl]butyl]-4-[(4-ethylphenyl)sulfonylamino]pyrrolidine-2-carboxamide Formula: C44H64N8O9S MolecularWeight: 881.09216

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C(=O)NCC(=O)NC(C1=CC=CC=C1)C(=O)N(C)C)NC(=O)C2CC(CN2C(=O)C(C3CCCCC3)NC(=O)NC(C)(C)C)NS(=O)(=O)C4=CC=C(C=C4)CC

Isomeric SMILES

CCCC(C(=O)C(=O)NCC(=O)NC(C1=CC=CC=C1)C(=O)N(C)C)NC(=O)C2CC(CN2C(=O)C(C3CCCCC3)NC(=O)NC(C)(C)C)NS(=O)(=O)C4=CC=C(C=C4)CC

InChI

InChI=1S/C44H64N8O9S/c1-8-16-33(38(54)40(56)45-26-35(53)47-36(41(57)51(6)7)29-17-12-10-13-18-29)46-39(55)34-25-31(50-62(60,61)32-23-21-28(9-2)22-24-32)27-52(34)42(58)37(30-19-14-11-15-20-30)48-43(59)49-44(3,4)5/h10,12-13,17-18,21-24,30-31,33-34,36-37,50H,8-9,11,14-16,19-20,25-27H2,1-7H3,(H,45,56)(H,46,55)(H,47,53)(H2,48,49,59)