(2S)-4-methyl-2-[(1-methyl-4-nitro-pyrrol-2-yl)carbonylamino]pentanoic acid

Systemtic Name: (2S)-4-methyl-2-[(1-methyl-4-nitro-pyrrol-2-yl)carbonylamino]pentanoic acid Openeye Name: (2S)-4-methyl-2-[(1-methyl-4-nitro-pyrrole-2-carbonyl)amino]pentanoic acid CAS Name: (2S)-4-methyl-2-[[(1-methyl-4-nitro-2-pyrrolyl)-oxomethyl]amino]pentanoic acid IUPAC Name: (2S)-4-methyl-2-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pentanoic acid Traditional Name: (2S)-4-methyl-2-[(1-methyl-4-nitro-pyrrole-2-carbonyl)amino]valeric acid Formula: C12H17N3O5 MolecularWeight: 283.28048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C1=CC(=CN1C)[N+](=O)[O-]

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)C1=CC(=CN1C)[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O5/c1-7(2)4-9(12(17)18)13-11(16)10-5-8(15(19)20)6-14(10)3/h5-7,9H,4H2,1-3H3,(H,13,16)(H,17,18)/t9-/m0/s1