Molecule ID: 71464684

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

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

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

SELFIES: [N][=C][Branch1][C][O][C][C][C@H1][Branch2][Ring1][S][N][=C][Branch1][C][O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][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/C26H34N6O10/c27-15(5-9-21(34)35)23(38)30-18(7-10-22(36)37)24(39)31-17(6-8-20(28)33)25(40)32-19(26(41)42)11-13-12-29-16-4-2-1-3-14(13)16/h1-4,12,15,17-19,29H,5-11,27H2,(H2,28,33)(H,30,38)(H,31,39)(H,32,40)(H,34,35)(H,36,37)(H,41,42)/t15-,17-,18-,19-/m0/s1

Molecular Properties:
- Polar Surface Area: 284.0 Ų
- LogP: -4.9