Molecule ID: 71464632

IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoic acid

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

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

SELFIES: [C][C][Branch1][C][C][C@H1][Branch2][Ring2][#C][N][=C][Branch1][C][O][C@@H1][Branch2][Ring1][P][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][=Branch1][C][=O][O][C][Branch1][C][C][C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C23H34N4O7/c1-12(2)18(22(32)27-19(13(3)4)23(33)34)26-21(31)16(10-14-8-6-5-7-9-14)25-20(30)15(24)11-17(28)29/h5-9,12-13,15-16,18-19H,10-11,24H2,1-4H3,(H,25,30)(H,26,31)(H,27,32)(H,28,29)(H,33,34)/t15-,16-,18-,19-/m0/s1

Molecular Properties:
- Polar Surface Area: 188.0 Ų
- LogP: -3.3