[(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 3-[(4-nitrophenyl)carbonylamino]propanoate

Systemtic Name: [(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 3-[(4-nitrophenyl)carbonylamino]propanoate Openeye Name: [(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethyl] 3-[(4-nitrobenzoyl)amino]propanoate CAS Name: 3-[[(4-nitrophenyl)-oxomethyl]amino]propanoic acid [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 3-[(4-nitrobenzoyl)amino]propanoate Traditional Name: 3-[(4-nitrobenzoyl)amino]propionic acid [(1S)-2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H23N3O6 MolecularWeight: 365.38102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)OC(=O)CCNC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NCC(C)C)OC(=O)CCNC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O6/c1-11(2)10-19-16(22)12(3)26-15(21)8-9-18-17(23)13-4-6-14(7-5-13)20(24)25/h4-7,11-12H,8-10H2,1-3H3,(H,18,23)(H,19,22)/t12-/m0/s1