[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-(2-phenoxyethanoylamino)propanoate

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-(2-phenoxyethanoylamino)propanoate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate CAS Name: (2S)-2-[(1-oxo-2-phenoxyethyl)amino]propanoic acid [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate Traditional Name: (2S)-2-[(2-phenoxyacetyl)amino]propionic acid [(1R)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)C(=O)NC1=CC2=C(C=C1)OCO2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)O[C@H](C)C(=O)NC1=CC2=C(C=C1)OCO2)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O7/c1-13(22-19(24)11-27-16-6-4-3-5-7-16)21(26)30-14(2)20(25)23-15-8-9-17-18(10-15)29-12-28-17/h3-10,13-14H,11-12H2,1-2H3,(H,22,24)(H,23,25)/t13-,14+/m0/s1