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

Systemtic Name: N-[4-(furan-2-ylmethylsulfanyl)-3-oxidanylidene-1-phenyl-butan-2-yl]-4-methyl-2-(2-phenoxybutanoylamino)pentanamide Openeye Name: N-[1-benzyl-3-(2-furylmethylsulfanyl)-2-oxo-propyl]-4-methyl-2-(2-phenoxybutanoylamino)pentanamide CAS Name: N-[4-(2-furanylmethylthio)-3-oxo-1-phenylbutan-2-yl]-4-methyl-2-[(1-oxo-2-phenoxybutyl)amino]pentanamide IUPAC Name: N-[4-(furan-2-ylmethylsulfanyl)-3-oxo-1-phenylbutan-2-yl]-4-methyl-2-(2-phenoxybutanoylamino)pentanamide Traditional Name: N-[1-benzyl-3-(2-furfurylthio)-2-keto-propyl]-4-methyl-2-(2-phenoxybutanoylamino)valeramide Formula: C31H38N2O5S MolecularWeight: 550.70882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)CSCC2=CC=CO2)OC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)CSCC2=CC=CO2)OC3=CC=CC=C3

InChI

InChI=1S/C31H38N2O5S/c1-4-29(38-24-14-9-6-10-15-24)31(36)33-27(18-22(2)3)30(35)32-26(19-23-12-7-5-8-13-23)28(34)21-39-20-25-16-11-17-37-25/h5-17,22,26-27,29H,4,18-21H2,1-3H3,(H,32,35)(H,33,36)