[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] (2S)-2-[(3-nitrophenyl)carbonylamino]propanoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] (2S)-2-[(3-nitrophenyl)carbonylamino]propanoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] (2S)-2-[(3-nitrobenzoyl)amino]propanoate CAS Name: (2S)-2-[[(3-nitrophenyl)-oxomethyl]amino]propanoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] (2S)-2-[(3-nitrobenzoyl)amino]propanoate Traditional Name: (2S)-2-[(3-nitrobenzoyl)amino]propionic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C17H23N3O6 MolecularWeight: 365.38102

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C(C)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)[C@H](C)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O6/c1-4-13(5-2)19-15(21)10-26-17(23)11(3)18-16(22)12-7-6-8-14(9-12)20(24)25/h6-9,11,13H,4-5,10H2,1-3H3,(H,18,22)(H,19,21)/t11-/m0/s1