[2-(methylamino)-2-oxidanylidene-ethyl] (2S)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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