Molecule ID: 6992643

IUPAC Name: (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]butanedioic acid

Description: The molecule is a dipeptide formed from L-phenylalanine and L-aspartic acid residues. It has a role as a metabolite. It derives from a L-phenylalanine and a L-aspartic acid.

SMILES: N[C@@H](Cc1ccccc1)C(O)=N[C@@H](CC(=O)O)C(=O)O

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

InChI: InChI=1S/C13H16N2O5/c14-9(6-8-4-2-1-3-5-8)12(18)15-10(13(19)20)7-11(16)17/h1-5,9-10H,6-7,14H2,(H,15,18)(H,16,17)(H,19,20)/t9-,10-/m0/s1

Molecular Properties:
- Polar Surface Area: 130.0 Ų
- LogP: -3.5