[2-(cyclopropylamino)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(2-phenoxyethanoylamino)butanoate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(2-phenoxyethanoylamino)butanoate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenoxyethyl)amino]butanoic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butyric acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C18H24N2O5 MolecularWeight: 348.39356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1CC1)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NC1CC1)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C18H24N2O5/c1-12(2)17(18(23)25-11-15(21)19-13-8-9-13)20-16(22)10-24-14-6-4-3-5-7-14/h3-7,12-13,17H,8-11H2,1-2H3,(H,19,21)(H,20,22)/t17-/m0/s1