(2S)-1-[6-[(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-5-nitro-pyridin-2-yl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[6-[(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-5-nitro-pyridin-2-yl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[6-[(1-carboxy-2-methyl-propyl)amino]-5-nitro-2-pyridyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[6-[(1-hydroxy-3-methyl-1-oxobutan-2-yl)amino]-5-nitro-2-pyridinyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[6-[(1-hydroxy-3-methyl-1-oxobutan-2-yl)amino]-5-nitropyridin-2-yl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[6-[(1-carboxy-2-methyl-propyl)amino]-5-nitro-2-pyridyl]proline Formula: C15H20N4O6 MolecularWeight: 352.3425

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC1=C(C=CC(=N1)N2CCCC2C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C(=O)O)NC1=C(C=CC(=N1)N2CCC[C@H]2C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H20N4O6/c1-8(2)12(15(22)23)17-13-9(19(24)25)5-6-11(16-13)18-7-3-4-10(18)14(20)21/h5-6,8,10,12H,3-4,7H2,1-2H3,(H,16,17)(H,20,21)(H,22,23)/t10-,12?/m0/s1