Molecule ID: 71464669

IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Description: The molecule is a tetrapeptide composed of L-leucine, two L-serine units and L-tyrosine joined in sequence by peptide linkages. It has a role as a metabolite. It derives from a L-leucine, a L-serine and a L-tyrosine.

SMILES: CC(C)C[C@H](N)C(O)=N[C@@H](CO)C(O)=N[C@@H](CO)C(O)=N[C@@H](Cc1ccc(O)cc1)C(=O)O

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

InChI: InChI=1S/C21H32N4O8/c1-11(2)7-14(22)18(29)24-16(9-26)20(31)25-17(10-27)19(30)23-15(21(32)33)8-12-3-5-13(28)6-4-12/h3-6,11,14-17,26-28H,7-10,22H2,1-2H3,(H,23,30)(H,24,29)(H,25,31)(H,32,33)/t14-,15-,16-,17-/m0/s1

Molecular Properties:
- Polar Surface Area: 211.0 Ų
- LogP: -4.5