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

Systemtic Name: N-[4-(furan-2-ylmethylsulfanyl)-3-oxidanylidene-1-phenyl-butan-2-yl]-4-methyl-2-(4-phenylbutanoylamino)pentanamide Openeye Name: N-[1-benzyl-3-(2-furylmethylsulfanyl)-2-oxo-propyl]-4-methyl-2-(4-phenylbutanoylamino)pentanamide CAS Name: N-[4-(2-furanylmethylthio)-3-oxo-1-phenylbutan-2-yl]-4-methyl-2-[(1-oxo-4-phenylbutyl)amino]pentanamide IUPAC Name: N-[4-(furan-2-ylmethylsulfanyl)-3-oxo-1-phenylbutan-2-yl]-4-methyl-2-(4-phenylbutanoylamino)pentanamide Traditional Name: N-[1-benzyl-3-(2-furfurylthio)-2-keto-propyl]-4-methyl-2-(4-phenylbutanoylamino)valeramide Formula: C31H38N2O4S MolecularWeight: 534.70942

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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)CCCC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)CSCC2=CC=CO2)NC(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C31H38N2O4S/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/h3-8,10-14,16,18,23,27-28H,9,15,17,19-22H2,1-2H3,(H,32,35)(H,33,36)