[(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-[(4-nitrophenyl)carbonylamino]propanoate

Systemtic Name: [(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-[(4-nitrophenyl)carbonylamino]propanoate Openeye Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 3-[(4-nitrobenzoyl)amino]propanoate CAS Name: 3-[[(4-nitrophenyl)-oxomethyl]amino]propanoic acid [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-[(4-nitrobenzoyl)amino]propanoate Traditional Name: 3-[(4-nitrobenzoyl)amino]propionic acid [(1R)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(C2=CC=CC=C2)OC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC(=O)[C@@H](C2=CC=CC=C2)OC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O6/c25-18(12-13-22-20(26)15-6-10-17(11-7-15)24(28)29)30-19(14-4-2-1-3-5-14)21(27)23-16-8-9-16/h1-7,10-11,16,19H,8-9,12-13H2,(H,22,26)(H,23,27)/t19-/m1/s1