Molecule ID: 71728362

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

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

SMILES: CC(C)[C@H](N=C(O)[C@H](Cc1c[nH]c2ccccc12)N=C(O)[C@@H]1CCCN1)C(O)=NCC(=O)O

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

InChI: InChI=1S/C23H31N5O5/c1-13(2)20(23(33)26-12-19(29)30)28-22(32)18(27-21(31)17-8-5-9-24-17)10-14-11-25-16-7-4-3-6-15(14)16/h3-4,6-7,11,13,17-18,20,24-25H,5,8-10,12H2,1-2H3,(H,26,33)(H,27,31)(H,28,32)(H,29,30)/t17-,18-,20-/m0/s1

Molecular Properties:
- Polar Surface Area: 152.0 Ų
- LogP: -1.2