Molecule ID: 11990218

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

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

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

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

InChI: InChI=1S/C16H20N4O4/c1-9(15(23)19-8-14(21)22)20-16(24)12(17)6-10-7-18-13-5-3-2-4-11(10)13/h2-5,7,9,12,18H,6,8,17H2,1H3,(H,19,23)(H,20,24)(H,21,22)/t9-,12-/m0/s1

Molecular Properties:
- Polar Surface Area: 137.0 Ų
- LogP: -2.6