(2S,3S)-3-methyl-2-[(4-nitrophenyl)carbonylamino]pentanoic acid

Systemtic Name: (2S,3S)-3-methyl-2-[(4-nitrophenyl)carbonylamino]pentanoic acid Openeye Name: (2S,3S)-3-methyl-2-[(4-nitrobenzoyl)amino]pentanoic acid CAS Name: (2S,3S)-3-methyl-2-[[(4-nitrophenyl)-oxomethyl]amino]pentanoic acid IUPAC Name: (2S,3S)-3-methyl-2-[(4-nitrobenzoyl)amino]pentanoic acid Traditional Name: (2S,3S)-3-methyl-2-[(4-nitrobenzoyl)amino]valeric acid Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5/c1-3-8(2)11(13(17)18)14-12(16)9-4-6-10(7-5-9)15(19)20/h4-8,11H,3H2,1-2H3,(H,14,16)(H,17,18)/t8-,11-/m0/s1