(2R)-3-methyl-2-[[3-nitro-6-[[(1R)-2-oxidanidyl-2-oxidanylidene-1-phenyl-ethyl]amino]pyridin-1-ium-2-yl]amino]butanoate

Systemtic Name: (2R)-3-methyl-2-[[3-nitro-6-[[(1R)-2-oxidanidyl-2-oxidanylidene-1-phenyl-ethyl]amino]pyridin-1-ium-2-yl]amino]butanoate Openeye Name: (2R)-3-methyl-2-[[3-nitro-6-[[(1R)-2-oxido-2-oxo-1-phenyl-ethyl]amino]pyridin-1-ium-2-yl]amino]butanoate CAS Name: (2R)-3-methyl-2-[[3-nitro-6-[[(1R)-2-oxido-2-oxo-1-phenylethyl]amino]-2-pyridin-1-iumyl]amino]butanoate IUPAC Name: (2R)-3-methyl-2-[[3-nitro-6-[[(1R)-2-oxido-2-oxo-1-phenylethyl]amino]pyridin-1-ium-2-yl]amino]butanoate Traditional Name: (2R)-2-[[6-[[(1R)-2-keto-2-oxido-1-phenyl-ethyl]amino]-3-nitro-pyridin-1-ium-2-yl]amino]-3-methyl-butyrate Formula: C18H19N4O6- MolecularWeight: 387.36666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC1=C(C=CC(=[NH+]1)NC(C2=CC=CC=C2)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@H](C(=O)[O-])NC1=C(C=CC(=[NH+]1)N[C@H](C2=CC=CC=C2)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O6/c1-10(2)14(17(23)24)21-16-12(22(27)28)8-9-13(20-16)19-15(18(25)26)11-6-4-3-5-7-11/h3-10,14-15H,1-2H3,(H,23,24)(H,25,26)(H2,19,20,21)/p-1/t14-,15-/m1/s1