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

Systemtic Name: [(2R)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (2S)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoate Openeye Name: [(1R)-1-methyl-2-(methylcarbamoylamino)-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-(methylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(methylcarbamoylamino)-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-keto-1-methyl-2-(methylcarbamoylamino)ethyl] ester Formula: C18H25N3O6S MolecularWeight: 411.4726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O6S/c1-12(16(23)21-18(25)19-2)27-17(24)14(9-10-28-3)20-15(22)11-26-13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3,(H,20,22)(H2,19,21,23,25)/t12-,14+/m1/s1