(2S)-3-methyl-2-(2-phenylethanoylamino)-N-[2-(phenylmethylsulfanyl)ethyl]butanamide

Systemtic Name: (2S)-3-methyl-2-(2-phenylethanoylamino)-N-[2-(phenylmethylsulfanyl)ethyl]butanamide Openeye Name: (2S)-N-(2-benzylsulfanylethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenylethyl)amino]-N-[2-(phenylmethylthio)ethyl]butanamide IUPAC Name: (2S)-N-(2-benzylsulfanylethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide Traditional Name: (2S)-N-[2-(benzylthio)ethyl]-3-methyl-2-[(2-phenylacetyl)amino]butyramide Formula: C22H28N2O2S MolecularWeight: 384.53492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCSCC1=CC=CC=C1)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)NCCSCC1=CC=CC=C1)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C22H28N2O2S/c1-17(2)21(24-20(25)15-18-9-5-3-6-10-18)22(26)23-13-14-27-16-19-11-7-4-8-12-19/h3-12,17,21H,13-16H2,1-2H3,(H,23,26)(H,24,25)/t21-/m0/s1