Molecule ID: 71464687

IUPAC Name: (4S)-4-amino-5-[[(2S)-1-[[(2S)-5-amino-1-[[(1S)-4-amino-1-carboxy-4-oxobutyl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid

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

SMILES: N=C(O)CC[C@H](N=C(O)[C@H](CCC(=N)O)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@@H](N)CCC(=O)O)C(=O)O

SELFIES: [N][=C][Branch1][C][O][C][C][C@H1][Branch2][Ring2][P][N][=C][Branch1][C][O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=N][O][N][=C][Branch1][C][O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][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/C24H34N6O9/c25-14(6-11-20(33)34)21(35)30-17(12-13-4-2-1-3-5-13)23(37)28-15(7-9-18(26)31)22(36)29-16(24(38)39)8-10-19(27)32/h1-5,14-17H,6-12,25H2,(H2,26,31)(H2,27,32)(H,28,37)(H,29,36)(H,30,35)(H,33,34)(H,38,39)/t14-,15-,16-,17-/m0/s1

Molecular Properties:
- Polar Surface Area: 274.0 Ų
- LogP: -6.6