Molecule ID: 83153

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

Description: The molecule is a tripeptide composed of one glycine and two L-phenylalanine residues joined in sequence It has a role as a metabolite.

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

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

InChI: InChI=1S/C20H23N3O4/c21-13-18(24)22-16(11-14-7-3-1-4-8-14)19(25)23-17(20(26)27)12-15-9-5-2-6-10-15/h1-10,16-17H,11-13,21H2,(H,22,24)(H,23,25)(H,26,27)/t16-,17-/m0/s1

Molecular Properties:
- Polar Surface Area: 122.0 Ų
- LogP: -1.3