[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] (2S)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)OC(=O)C(CCSC)NC(=O)COC1=CC=CC=C1

Isomeric SMILES

C[C@H](C(=O)N)OC(=O)[C@H](CCSC)NC(=O)COC1=CC=CC=C1

InChI

InChI=1S/C16H22N2O5S/c1-11(15(17)20)23-16(21)13(8-9-24-2)18-14(19)10-22-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H2,17,20)(H,18,19)/t11-,13+/m1/s1