(2S,3S)-3-methyl-2-[(5-nitro-1H-pyrrol-2-yl)carbonylamino]pentanoate

Systemtic Name: (2S,3S)-3-methyl-2-[(5-nitro-1H-pyrrol-2-yl)carbonylamino]pentanoate Openeye Name: (2S,3S)-3-methyl-2-[(5-nitro-1H-pyrrole-2-carbonyl)amino]pentanoate CAS Name: (2S,3S)-3-methyl-2-[[(5-nitro-1H-pyrrol-2-yl)-oxomethyl]amino]pentanoate IUPAC Name: (2S,3S)-3-methyl-2-[(5-nitro-1H-pyrrole-2-carbonyl)amino]pentanoate Traditional Name: (2S,3S)-3-methyl-2-[(5-nitro-1H-pyrrole-2-carbonyl)amino]valerate Formula: C11H14N3O5- MolecularWeight: 268.24596

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)C1=CC=C(N1)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])NC(=O)C1=CC=C(N1)[N+](=O)[O-]

InChI

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