(phenylmethyl) 2-azanyl-5-[3-methyl-2,3,4-tris(oxidanyl)butan-2-yl]-1-oxidanylidene-2H-pyrazin-1-ium-3-carboxylate

Systemtic Name: (phenylmethyl) 2-azanyl-5-[3-methyl-2,3,4-tris(oxidanyl)butan-2-yl]-1-oxidanylidene-2H-pyrazin-1-ium-3-carboxylate Openeye Name: benzyl 2-amino-1-oxo-5-(1,2,3-trihydroxy-1,2-dimethyl-propyl)-2H-pyrazin-1-ium-3-carboxylate CAS Name: 2-amino-1-oxo-5-(2,3,4-trihydroxy-3-methylbutan-2-yl)-2H-pyrazin-1-ium-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-amino-1-oxo-5-(2,3,4-trihydroxy-3-methylbutan-2-yl)-2H-pyrazin-1-ium-3-carboxylate Traditional Name: 2-amino-1-keto-5-(1,2,3-trihydroxy-1,2-dimethyl-propyl)-2H-pyrazin-1-ium-3-carboxylic acid benzyl ester Formula: C17H22N3O6+ MolecularWeight: 364.37308

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(C(C)(C1=C[N+](=O)C(C(=N1)C(=O)OCC2=CC=CC=C2)N)O)O

Isomeric SMILES

CC(CO)(C(C)(C1=C[N+](=O)C(C(=N1)C(=O)OCC2=CC=CC=C2)N)O)O

InChI

InChI=1S/C17H22N3O6/c1-16(23,10-21)17(2,24)12-8-20(25)14(18)13(19-12)15(22)26-9-11-6-4-3-5-7-11/h3-8,14,21,23-24H,9-10,18H2,1-2H3/q+1