Molecule ID: 25200878

IUPAC Name: 5-amino-2-[[2-(1H-indol-3-yl)acetyl]amino]-5-oxopentanoate

Description: The molecule is a monocarboxylic acid anion that is the conjugate base of N-(indol-3-ylacetyl)glutamine, obtained by deprotonation of the carboxy group; major species at pH 7.3. It has a role as a human urinary metabolite. It is a conjugate base of a N-(indol-3-ylacetyl)glutamine.

SMILES: N=C([O-])CCC(N=C(O)Cc1c[nH]c2ccccc12)C(=O)O

SELFIES: [N][=C][Branch1][C][O-1][C][C][C][Branch2][Ring1][Ring2][N][=C][Branch1][C][O][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C15H17N3O4/c16-13(19)6-5-12(15(21)22)18-14(20)7-9-8-17-11-4-2-1-3-10(9)11/h1-4,8,12,17H,5-7H2,(H2,16,19)(H,18,20)(H,21,22)/p-1

Molecular Properties:
- Polar Surface Area: 128.0 Ų
- LogP: 0.6