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

Systemtic Name: N-[4-(furan-2-ylmethylsulfanyl)-3-oxidanylidene-1-phenyl-butan-2-yl]-4-methyl-2-(3-methylbutanoylamino)pentanamide Openeye Name: N-[1-benzyl-3-(2-furylmethylsulfanyl)-2-oxo-propyl]-4-methyl-2-(3-methylbutanoylamino)pentanamide CAS Name: N-[4-(2-furanylmethylthio)-3-oxo-1-phenylbutan-2-yl]-4-methyl-2-[(3-methyl-1-oxobutyl)amino]pentanamide IUPAC Name: N-[4-(furan-2-ylmethylsulfanyl)-3-oxo-1-phenylbutan-2-yl]-4-methyl-2-(3-methylbutanoylamino)pentanamide Traditional Name: N-[1-benzyl-3-(2-furfurylthio)-2-keto-propyl]-2-(isovalerylamino)-4-methyl-valeramide Formula: C26H36N2O4S MolecularWeight: 472.64004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N2O4S/c1-18(2)13-23(27-25(30)14-19(3)4)26(31)28-22(15-20-9-6-5-7-10-20)24(29)17-33-16-21-11-8-12-32-21/h5-12,18-19,22-23H,13-17H2,1-4H3,(H,27,30)(H,28,31)