Molecule ID: 71464661

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

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

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

SELFIES: [N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][Branch1][C][O][=N][C][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/C18H22N4O6/c19-12(5-6-16(24)25)17(26)21-9-15(23)22-14(18(27)28)7-10-8-20-13-4-2-1-3-11(10)13/h1-4,8,12,14,20H,5-7,9,19H2,(H,21,26)(H,22,23)(H,24,25)(H,27,28)/t12-,14-/m0/s1

Molecular Properties:
- Polar Surface Area: 175.0 Ų
- LogP: -3.3