methyl (2S)-4-methylsulfanyl-2-[2-(2-phenoxyethanoylamino)ethanoylamino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[2-(2-phenoxyethanoylamino)ethanoylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[[2-[(2-phenoxyacetyl)amino]acetyl]amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[1-oxo-2-[(1-oxo-2-phenoxyethyl)amino]ethyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[[2-[(2-phenoxyacetyl)amino]acetyl]amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[[2-[(2-phenoxyacetyl)amino]acetyl]amino]butyric acid methyl ester Formula: C16H22N2O5S MolecularWeight: 354.42128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)CNC(=O)COC1=CC=CC=C1

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)CNC(=O)COC1=CC=CC=C1

InChI

InChI=1S/C16H22N2O5S/c1-22-16(21)13(8-9-24-2)18-14(19)10-17-15(20)11-23-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3,(H,17,20)(H,18,19)/t13-/m0/s1