(2-oxidanylidene-2-phenylazanyl-ethyl) (2R)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) (2R)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoate Openeye Name: (2-anilino-2-oxo-ethyl) (2R)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate CAS Name: (2R)-4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]butanoic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) (2R)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate Traditional Name: (2R)-4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyric acid (2-anilino-2-keto-ethyl) ester Formula: C21H24N2O5S MolecularWeight: 416.49066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)NC1=CC=CC=C1)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CSCC[C@H](C(=O)OCC(=O)NC1=CC=CC=C1)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C21H24N2O5S/c1-29-13-12-18(23-20(25)14-27-17-10-6-3-7-11-17)21(26)28-15-19(24)22-16-8-4-2-5-9-16/h2-11,18H,12-15H2,1H3,(H,22,24)(H,23,25)/t18-/m1/s1