2-amino-4-[3-(2-amino-2-carboxylatoethyl)-6-oxocyclohexa-1,4-dien-1-yl]pentanedioate

Chemical Formula:

C₁₄H₁₇N₂O₇

Molecular Weight:

325.297 Daltons

Monoisotopic Mass:

328.1270510071 Daltons

SMILES:

C([O-])(=O)C(CC([N+])C(=O)[O-])C1(C(=O)C=CC(CC([N+])C([O-])=O)C=1)

InChI:

1S/C14H18N2O7/c15-9(13(20)21)4-6-1-2-11(17)7(3-6)8(12(18)19)5-10(16)14(22)23/h1-3,6,8-10H,4-5,15-16H2,(H,18,19)(H,20,21)(H,22,23)/p-1

InChIKey:

RYBKCROHRDEYCF-UHFFFAOYSA-M

Databases

MetaCyc: CPD-12136

PubChem (CID): 90658474

Seed: cpd23264

MetaNetX: MNXM114439