(4-nitrophenyl)methyl (2S)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoate

Systemtic Name: (4-nitrophenyl)methyl (2S)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoate Openeye Name: (4-nitrophenyl)methyl (2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]butanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyric acid (4-nitrobenzyl) ester Formula: C20H22N2O6S MolecularWeight: 418.46348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CSCC[C@@H](C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C20H22N2O6S/c1-29-12-11-18(21-19(23)14-27-17-5-3-2-4-6-17)20(24)28-13-15-7-9-16(10-8-15)22(25)26/h2-10,18H,11-14H2,1H3,(H,21,23)/t18-/m0/s1