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

Systemtic Name: (2S,3S)-3-methyl-2-[(3-methyl-4-nitro-phenyl)carbonylamino]pentanoic acid Openeye Name: (2S,3S)-3-methyl-2-[(3-methyl-4-nitro-benzoyl)amino]pentanoic acid CAS Name: (2S,3S)-3-methyl-2-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]pentanoic acid IUPAC Name: (2S,3S)-3-methyl-2-[(3-methyl-4-nitrobenzoyl)amino]pentanoic acid Traditional Name: (2S,3S)-3-methyl-2-[(3-methyl-4-nitro-benzoyl)amino]valeric acid Formula: C14H18N2O5 MolecularWeight: 294.30312

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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-])C

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O5/c1-4-8(2)12(14(18)19)15-13(17)10-5-6-11(16(20)21)9(3)7-10/h5-8,12H,4H2,1-3H3,(H,15,17)(H,18,19)/t8-,12-/m0/s1