4-tert-butylsulfonyl-N-[1-[[1-cyclohexyl-4-cyclopropyl-3,4-bis(oxidanyl)butan-2-yl]amino]-3-methylsulfanyl-1-oxidanylidene-propan-2-yl]-3-phenyl-butanamide

Systemtic Name: 4-tert-butylsulfonyl-N-[1-[[1-cyclohexyl-4-cyclopropyl-3,4-bis(oxidanyl)butan-2-yl]amino]-3-methylsulfanyl-1-oxidanylidene-propan-2-yl]-3-phenyl-butanamide Openeye Name: 4-tert-butylsulfonyl-N-[2-[[1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxy-propyl]amino]-1-(methylsulfanylmethyl)-2-oxo-ethyl]-3-phenyl-butanamide CAS Name: 4-tert-butylsulfonyl-N-[1-[(1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl)amino]-3-(methylthio)-1-oxopropan-2-yl]-3-phenylbutanamide IUPAC Name: 4-tert-butylsulfonyl-N-[1-[(1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl)amino]-3-methylsulfanyl-1-oxopropan-2-yl]-3-phenylbutanamide Traditional Name: 4-tert-butylsulfonyl-N-[2-[[1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxy-propyl]amino]-2-keto-1-[(methylthio)methyl]ethyl]-3-phenyl-butyramide Formula: C31H50N2O6S2 MolecularWeight: 610.8685

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S(=O)(=O)CC(CC(=O)NC(CSC)C(=O)NC(CC1CCCCC1)C(C(C2CC2)O)O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)S(=O)(=O)CC(CC(=O)NC(CSC)C(=O)NC(CC1CCCCC1)C(C(C2CC2)O)O)C3=CC=CC=C3

InChI

InChI=1S/C31H50N2O6S2/c1-31(2,3)41(38,39)20-24(22-13-9-6-10-14-22)18-27(34)32-26(19-40-4)30(37)33-25(17-21-11-7-5-8-12-21)29(36)28(35)23-15-16-23/h6,9-10,13-14,21,23-26,28-29,35-36H,5,7-8,11-12,15-20H2,1-4H3,(H,32,34)(H,33,37)