Molecule ID: 71464686

IUPAC Name: (4S)-4-amino-5-[[(2S)-6-amino-1-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid

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

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

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

InChI: InChI=1S/C25H36N6O7/c1-14(25(37)38)29-24(36)20(12-15-13-28-18-7-3-2-6-16(15)18)31-23(35)19(8-4-5-11-26)30-22(34)17(27)9-10-21(32)33/h2-3,6-7,13-14,17,19-20,28H,4-5,8-12,26-27H2,1H3,(H,29,36)(H,30,34)(H,31,35)(H,32,33)(H,37,38)/t14-,17-,19-,20-/m0/s1

Molecular Properties:
- Polar Surface Area: 230.0 Ų
- LogP: -5.9