Molecule ID: 87795061

IUPAC Name: (2S)-2-[[(3S)-3-amino-3-carboxypropanoyl]amino]pentanedioic acid

Description: The molecule is a dipeptide consisting of an L-aspartyl residue attached to L-glutamic acid via the beta-carboxy group. It has a role as a human blood serum metabolite.

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

SELFIES: [N][C@@H1][Branch2][Ring1][=Branch1][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/C9H14N2O7/c10-4(8(15)16)3-6(12)11-5(9(17)18)1-2-7(13)14/h4-5H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18)/t4-,5-/m0/s1

Molecular Properties:
- Polar Surface Area: 167.0 Ų
- LogP: -4.6