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

Systemtic Name: N-[4-(furan-2-ylmethylsulfanyl)-3-oxidanylidene-1-phenyl-butan-2-yl]-4-methyl-2-(3-phenylpropanoylamino)pentanamide Openeye Name: N-[1-benzyl-3-(2-furylmethylsulfanyl)-2-oxo-propyl]-4-methyl-2-(3-phenylpropanoylamino)pentanamide CAS Name: N-[4-(2-furanylmethylthio)-3-oxo-1-phenylbutan-2-yl]-4-methyl-2-[(1-oxo-3-phenylpropyl)amino]pentanamide IUPAC Name: N-[4-(furan-2-ylmethylsulfanyl)-3-oxo-1-phenylbutan-2-yl]-4-methyl-2-(3-phenylpropanoylamino)pentanamide Traditional Name: N-[1-benzyl-3-(2-furfurylthio)-2-keto-propyl]-2-(hydrocinnamoylamino)-4-methyl-valeramide Formula: C30H36N2O4S MolecularWeight: 520.68284

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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)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)CSCC2=CC=CO2)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C30H36N2O4S/c1-22(2)18-27(31-29(34)16-15-23-10-5-3-6-11-23)30(35)32-26(19-24-12-7-4-8-13-24)28(33)21-37-20-25-14-9-17-36-25/h3-14,17,22,26-27H,15-16,18-21H2,1-2H3,(H,31,34)(H,32,35)