(2S,3S)-3-methyl-2-[(1-methyl-4-nitro-pyrrol-2-yl)carbonylamino]pentanoate

Systemtic Name: (2S,3S)-3-methyl-2-[(1-methyl-4-nitro-pyrrol-2-yl)carbonylamino]pentanoate Openeye Name: (2S,3S)-3-methyl-2-[(1-methyl-4-nitro-pyrrole-2-carbonyl)amino]pentanoate CAS Name: (2S,3S)-3-methyl-2-[[(1-methyl-4-nitro-2-pyrrolyl)-oxomethyl]amino]pentanoate IUPAC Name: (2S,3S)-3-methyl-2-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pentanoate Traditional Name: (2S,3S)-3-methyl-2-[(1-methyl-4-nitro-pyrrole-2-carbonyl)amino]valerate Formula: C12H16N3O5- MolecularWeight: 282.27254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O5/c1-4-7(2)10(12(17)18)13-11(16)9-5-8(15(19)20)6-14(9)3/h5-7,10H,4H2,1-3H3,(H,13,16)(H,17,18)/p-1/t7-,10-/m0/s1