(2S)-2-(2-azanylethanoylamino)-4-[(4-nitrophenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-2-(2-azanylethanoylamino)-4-[(4-nitrophenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: (2S)-2-[(2-aminoacetyl)amino]-4-(4-nitroanilino)-4-oxo-butanoic acid CAS Name: (2S)-2-[(2-amino-1-oxoethyl)amino]-4-(4-nitroanilino)-4-oxobutanoic acid IUPAC Name: (2S)-2-[(2-aminoacetyl)amino]-4-(4-nitroanilino)-4-oxobutanoic acid Traditional Name: (2S)-2-(glycylamino)-4-keto-4-(4-nitroanilino)butyric acid Formula: C12H14N4O6 MolecularWeight: 310.26276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CC(C(=O)O)NC(=O)CN)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C[C@@H](C(=O)O)NC(=O)CN)[N+](=O)[O-]

InChI

InChI=1S/C12H14N4O6/c13-6-11(18)15-9(12(19)20)5-10(17)14-7-1-3-8(4-2-7)16(21)22/h1-4,9H,5-6,13H2,(H,14,17)(H,15,18)(H,19,20)/t9-/m0/s1