2-(4-cyclohexylbutanoylamino)-N-[4-(furan-2-ylmethylsulfanyl)-3-oxidanylidene-1-phenyl-butan-2-yl]-4-methyl-pentanamide

Systemtic Name: 2-(4-cyclohexylbutanoylamino)-N-[4-(furan-2-ylmethylsulfanyl)-3-oxidanylidene-1-phenyl-butan-2-yl]-4-methyl-pentanamide Openeye Name: N-[1-benzyl-3-(2-furylmethylsulfanyl)-2-oxo-propyl]-2-(4-cyclohexylbutanoylamino)-4-methyl-pentanamide CAS Name: 2-[(4-cyclohexyl-1-oxobutyl)amino]-N-[4-(2-furanylmethylthio)-3-oxo-1-phenylbutan-2-yl]-4-methylpentanamide IUPAC Name: 2-(4-cyclohexylbutanoylamino)-N-[4-(furan-2-ylmethylsulfanyl)-3-oxo-1-phenylbutan-2-yl]-4-methylpentanamide Traditional Name: N-[1-benzyl-3-(2-furfurylthio)-2-keto-propyl]-2-(4-cyclohexylbutanoylamino)-4-methyl-valeramide Formula: C31H44N2O4S MolecularWeight: 540.75706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)CSCC2=CC=CO2)NC(=O)CCCC3CCCCC3

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)CSCC2=CC=CO2)NC(=O)CCCC3CCCCC3

InChI

InChI=1S/C31H44N2O4S/c1-23(2)19-28(32-30(35)17-9-15-24-11-5-3-6-12-24)31(36)33-27(20-25-13-7-4-8-14-25)29(34)22-38-21-26-16-10-18-37-26/h4,7-8,10,13-14,16,18,23-24,27-28H,3,5-6,9,11-12,15,17,19-22H2,1-2H3,(H,32,35)(H,33,36)