[(2R)-1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-(2-phenoxyethanoylamino)propanoate

Systemtic Name: [(2R)-1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-(2-phenoxyethanoylamino)propanoate Openeye Name: [(1R)-2-(4-carbamoylanilino)-1-methyl-2-oxo-ethyl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate CAS Name: (2S)-2-[(1-oxo-2-phenoxyethyl)amino]propanoic acid [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate Traditional Name: (2S)-2-[(2-phenoxyacetyl)amino]propionic acid [(1R)-2-(4-carbamoylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)C(=O)NC1=CC=C(C=C1)C(=O)N)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)O[C@H](C)C(=O)NC1=CC=C(C=C1)C(=O)N)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C21H23N3O6/c1-13(23-18(25)12-29-17-6-4-3-5-7-17)21(28)30-14(2)20(27)24-16-10-8-15(9-11-16)19(22)26/h3-11,13-14H,12H2,1-2H3,(H2,22,26)(H,23,25)(H,24,27)/t13-,14+/m0/s1