(4S)-4-[(4-nitrophenyl)carbonylamino]-5-oxidanyl-pentanoic acid

Systemtic Name: (4S)-4-[(4-nitrophenyl)carbonylamino]-5-oxidanyl-pentanoic acid Openeye Name: (4S)-5-hydroxy-4-[(4-nitrobenzoyl)amino]pentanoic acid CAS Name: (4S)-5-hydroxy-4-[[(4-nitrophenyl)-oxomethyl]amino]pentanoic acid IUPAC Name: (4S)-5-hydroxy-4-[(4-nitrobenzoyl)amino]pentanoic acid Traditional Name: (4S)-5-hydroxy-4-[(4-nitrobenzoyl)amino]valeric acid Formula: C12H14N2O6 MolecularWeight: 282.24936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O6/c15-7-9(3-6-11(16)17)13-12(18)8-1-4-10(5-2-8)14(19)20/h1-2,4-5,9,15H,3,6-7H2,(H,13,18)(H,16,17)/t9-/m0/s1