(2S)-5-azanyl-2-[(4-nitrophenyl)carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-5-azanyl-2-[(4-nitrophenyl)carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-5-amino-2-[(4-nitrobenzoyl)amino]-5-oxo-pentanoic acid CAS Name: (2S)-5-amino-2-[[(4-nitrophenyl)-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: (2S)-5-amino-2-[(4-nitrobenzoyl)amino]-5-oxopentanoic acid Traditional Name: (2S)-5-amino-5-keto-2-[(4-nitrobenzoyl)amino]valeric acid Formula: C12H13N3O6 MolecularWeight: 295.24812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCC(=O)N)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)N)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O6/c13-10(16)6-5-9(12(18)19)14-11(17)7-1-3-8(4-2-7)15(20)21/h1-4,9H,5-6H2,(H2,13,16)(H,14,17)(H,18,19)/t9-/m0/s1