(2S)-3-methyl-2-[2-[(5-nitropyridin-2-yl)amino]ethanoylamino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[2-[(5-nitropyridin-2-yl)amino]ethanoylamino]butanoic acid Openeye Name: (2S)-3-methyl-2-[[2-[(5-nitro-2-pyridyl)amino]acetyl]amino]butanoic acid CAS Name: (2S)-3-methyl-2-[[2-[(5-nitro-2-pyridinyl)amino]-1-oxoethyl]amino]butanoic acid IUPAC Name: (2S)-3-methyl-2-[[2-[(5-nitropyridin-2-yl)amino]acetyl]amino]butanoic acid Traditional Name: (2S)-3-methyl-2-[[2-[(5-nitro-2-pyridyl)amino]acetyl]amino]butyric acid Formula: C12H16N4O5 MolecularWeight: 296.27924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)CNC1=NC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)CNC1=NC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H16N4O5/c1-7(2)11(12(18)19)15-10(17)6-14-9-4-3-8(5-13-9)16(20)21/h3-5,7,11H,6H2,1-2H3,(H,13,14)(H,15,17)(H,18,19)/t11-/m0/s1