Molecule ID: 72715786

IUPAC Name: 3-[[(1S)-1,3-dicarboxylatopropyl]carbamoyl]-3-hydroxypentanedioate

Description: The molecule is a tetracarboxylic acid anion obtained by deprotonation of the four carboxy groups of beta-citrylglutamic acid; major species at pH 7.3. It is a tetracarboxylic acid anion and a N-acyl-L-alpha-amino acid anion.

SMILES: O=C([O-])CC[C@H](N=C(O)C(O)(CC(=O)[O-])CC(=O)[O-])C(=O)[O-]

SELFIES: [O][=C][Branch1][C][O-1][C][C][C@H1][Branch2][Ring1][Branch2][N][=C][Branch1][C][O][C][Branch1][C][O][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][C][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C11H15NO10/c13-6(14)2-1-5(9(19)20)12-10(21)11(22,3-7(15)16)4-8(17)18/h5,22H,1-4H2,(H,12,21)(H,13,14)(H,15,16)(H,17,18)(H,19,20)/p-4/t5-/m0/s1

Molecular Properties:
- Polar Surface Area: 210.0 Ų
- LogP: -0.2