Molecule ID: 10237737

IUPAC Name: (4S)-4-amino-5-[[(2S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

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

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

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

InChI: InChI=1S/C19H24N4O6/c1-10(22-18(27)13(20)6-7-16(24)25)17(26)23-15(19(28)29)8-11-9-21-14-5-3-2-4-12(11)14/h2-5,9-10,13,15,21H,6-8,20H2,1H3,(H,22,27)(H,23,26)(H,24,25)(H,28,29)/t10-,13-,15-/m0/s1

Molecular Properties:
- Polar Surface Area: 175.0 Ų
- LogP: -3.0