(phenylmethyl) 2-azanyl-5-[3,4-dimethyl-2,3,4,5-tetrakis(oxidanyl)pentan-2-yl]-1-oxidanylidene-2H-pyrazin-1-ium-3-carboxylate

Systemtic Name: (phenylmethyl) 2-azanyl-5-[3,4-dimethyl-2,3,4,5-tetrakis(oxidanyl)pentan-2-yl]-1-oxidanylidene-2H-pyrazin-1-ium-3-carboxylate Openeye Name: benzyl 2-amino-1-oxo-5-(1,2,3,4-tetrahydroxy-1,2,3-trimethyl-butyl)-2H-pyrazin-1-ium-3-carboxylate CAS Name: 2-amino-1-oxo-5-(2,3,4,5-tetrahydroxy-3,4-dimethylpentan-2-yl)-2H-pyrazin-1-ium-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-amino-1-oxo-5-(2,3,4,5-tetrahydroxy-3,4-dimethylpentan-2-yl)-2H-pyrazin-1-ium-3-carboxylate Traditional Name: 2-amino-1-keto-5-(1,2,3,4-tetrahydroxy-1,2,3-trimethyl-butyl)-2H-pyrazin-1-ium-3-carboxylic acid benzyl ester Formula: C19H26N3O7+ MolecularWeight: 408.42564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N3O7/c1-17(25,11-23)19(3,27)18(2,26)13-9-22(28)15(20)14(21-13)16(24)29-10-12-7-5-4-6-8-12/h4-9,15,23,25-27H,10-11,20H2,1-3H3/q+1