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

Systemtic Name: N-[4-(furan-2-ylmethylsulfanyl)-3-oxidanylidene-1-phenyl-butan-2-yl]-4-methyl-2-[(phenylmethyl)carbamoylamino]pentanamide Openeye Name: 2-(benzylcarbamoylamino)-N-[1-benzyl-3-(2-furylmethylsulfanyl)-2-oxo-propyl]-4-methyl-pentanamide CAS Name: N-[4-(2-furanylmethylthio)-3-oxo-1-phenylbutan-2-yl]-4-methyl-2-[[oxo-[(phenylmethyl)amino]methyl]amino]pentanamide IUPAC Name: 2-(benzylcarbamoylamino)-N-[4-(furan-2-ylmethylsulfanyl)-3-oxo-1-phenylbutan-2-yl]-4-methylpentanamide Traditional Name: 2-(benzylcarbamoylamino)-N-[1-benzyl-3-(2-furfurylthio)-2-keto-propyl]-4-methyl-valeramide Formula: C29H35N3O4S MolecularWeight: 521.6709

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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)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)CSCC2=CC=CO2)NC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C29H35N3O4S/c1-21(2)16-26(32-29(35)30-18-23-12-7-4-8-13-23)28(34)31-25(17-22-10-5-3-6-11-22)27(33)20-37-19-24-14-9-15-36-24/h3-15,21,25-26H,16-20H2,1-2H3,(H,31,34)(H2,30,32,35)