Molecule ID: 71464674

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

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

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

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

InChI: InChI=1S/C19H34N4O7/c1-8(2)13(21-16(26)11(20)7-12(24)25)17(27)22-14(9(3)4)18(28)23-15(10(5)6)19(29)30/h8-11,13-15H,7,20H2,1-6H3,(H,21,26)(H,22,27)(H,23,28)(H,24,25)(H,29,30)/t11-,13-,14-,15-/m0/s1

Molecular Properties:
- Polar Surface Area: 188.0 Ų
- LogP: -4.0