Molecule ID: 71464523

IUPAC Name: (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoic acid

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

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

SELFIES: [C][C@H1][Branch1][C][N][C][Branch1][C][O][=N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][=N][C@H1][Branch1][S][C][Branch1][C][O][=N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][O]

InChI: InChI=1S/C19H28N4O7/c1-10(20)16(26)21-13(8-12-6-4-3-5-7-12)17(27)23-15(11(2)25)18(28)22-14(9-24)19(29)30/h3-7,10-11,13-15,24-25H,8-9,20H2,1-2H3,(H,21,26)(H,22,28)(H,23,27)(H,29,30)/t10-,11+,13-,14-,15-/m0/s1

Molecular Properties:
- Polar Surface Area: 191.0 Ų
- LogP: -4.7