Molecule ID: 92865

IUPAC Name: (2S)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]pentanedioic acid

Description: The molecule is a dipeptide obtained by formal condensation of the gamma-carboxy group of glutamic acid with the amino group of another glutamic acid. It has a role as a human metabolite. It derives from a L-glutamic acid. It is a conjugate acid of a gamma-Glu-Glu(2-).

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

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

InChI: InChI=1S/C10H16N2O7/c11-5(9(16)17)1-3-7(13)12-6(10(18)19)2-4-8(14)15/h5-6H,1-4,11H2,(H,12,13)(H,14,15)(H,16,17)(H,18,19)/t5-,6-/m0/s1

Molecular Properties:
- Polar Surface Area: 167.0 Ų
- LogP: -4.3