Molecule ID: 71464588

IUPAC Name: (4S)-4-amino-5-[[(2S,3R)-1-[[(2S,3R)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

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

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

SELFIES: [C][C@@H1][Branch1][C][O][C@H1][Branch2][Ring1][=C][N][=C][Branch1][C][O][C@@H1][Branch1][P][N][=C][Branch1][C][O][C@@H1][Branch1][C][N][C][C][C][=Branch1][C][=O][O][C@@H1][Branch1][C][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/C22H32N4O10/c1-10(27)17(20(33)24-15(22(35)36)9-12-3-5-13(29)6-4-12)26-21(34)18(11(2)28)25-19(32)14(23)7-8-16(30)31/h3-6,10-11,14-15,17-18,27-29H,7-9,23H2,1-2H3,(H,24,33)(H,25,32)(H,26,34)(H,30,31)(H,35,36)/t10-,11-,14+,15+,17+,18+/m1/s1

Molecular Properties:
- Polar Surface Area: 249.0 Ų
- LogP: -6.0