(2S)-1-[6-[[(2R)-3-methyl-1-oxidanidyl-1-oxidanylidene-butan-2-yl]amino]-5-nitro-pyridin-1-ium-2-yl]pyrrolidine-2-carboxylate

Systemtic Name: (2S)-1-[6-[[(2R)-3-methyl-1-oxidanidyl-1-oxidanylidene-butan-2-yl]amino]-5-nitro-pyridin-1-ium-2-yl]pyrrolidine-2-carboxylate Openeye Name: (2S)-1-[6-[[(1R)-1-carboxylato-2-methyl-propyl]amino]-5-nitro-pyridin-1-ium-2-yl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[6-[[(2R)-3-methyl-1-oxido-1-oxobutan-2-yl]amino]-5-nitro-2-pyridin-1-iumyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[6-[[(2R)-3-methyl-1-oxido-1-oxobutan-2-yl]amino]-5-nitropyridin-1-ium-2-yl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[6-[[(1R)-1-carboxylato-2-methyl-propyl]amino]-5-nitro-pyridin-1-ium-2-yl]pyrrolidine-2-carboxylate Formula: C15H19N4O6- MolecularWeight: 351.33456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC1=C(C=CC(=[NH+]1)N2CCCC2C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@H](C(=O)[O-])NC1=C(C=CC(=[NH+]1)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)/p-1/t10-,12+/m0/s1