Molecule ID: 71728356

IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoic acid

Description: The molecule is a tripeptide composed of L-phenylalanine, L-tryptophan, and L-alanine joined by peptide linkages. It has a role as a metabolite. It derives from a L-phenylalanine, a L-tryptophan and a L-alanine.

SMILES: C[C@H](N=C(O)[C@H](Cc1c[nH]c2ccccc12)N=C(O)[C@@H](N)Cc1ccccc1)C(=O)O

SELFIES: [C][C@H1][Branch2][Ring2][=Branch2][N][=C][Branch1][C][O][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][=C][Branch1][C][O][C@@H1][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C23H26N4O4/c1-14(23(30)31)26-22(29)20(12-16-13-25-19-10-6-5-9-17(16)19)27-21(28)18(24)11-15-7-3-2-4-8-15/h2-10,13-14,18,20,25H,11-12,24H2,1H3,(H,26,29)(H,27,28)(H,30,31)/t14-,18-,20-/m0/s1

Molecular Properties:
- Polar Surface Area: 137.0 Ų
- LogP: -1.0