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

Systemtic Name: (2S,3S)-3-methyl-2-[(4-nitro-1H-pyrrol-2-yl)carbonylamino]pentanoic acid Openeye Name: (2S,3S)-3-methyl-2-[(4-nitro-1H-pyrrole-2-carbonyl)amino]pentanoic acid CAS Name: (2S,3S)-3-methyl-2-[[(4-nitro-1H-pyrrol-2-yl)-oxomethyl]amino]pentanoic acid IUPAC Name: (2S,3S)-3-methyl-2-[(4-nitro-1H-pyrrole-2-carbonyl)amino]pentanoic acid Traditional Name: (2S,3S)-3-methyl-2-[(4-nitro-1H-pyrrole-2-carbonyl)amino]valeric acid Formula: C11H15N3O5 MolecularWeight: 269.2539

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C1=CC(=CN1)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)O)NC(=O)C1=CC(=CN1)[N+](=O)[O-]

InChI

InChI=1S/C11H15N3O5/c1-3-6(2)9(11(16)17)13-10(15)8-4-7(5-12-8)14(18)19/h4-6,9,12H,3H2,1-2H3,(H,13,15)(H,16,17)/t6-,9-/m0/s1