Molecule ID: 71464672

IUPAC Name: (2S)-1-[2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-methylbutanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid

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

SMILES: CC(C)[C@H](N=C(O)[C@@H](N)CC(=O)O)C(O)=NCC(=O)N1CCC[C@H]1C(=O)O

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

InChI: InChI=1S/C16H26N4O7/c1-8(2)13(19-14(24)9(17)6-12(22)23)15(25)18-7-11(21)20-5-3-4-10(20)16(26)27/h8-10,13H,3-7,17H2,1-2H3,(H,18,25)(H,19,24)(H,22,23)(H,26,27)/t9-,10-,13-/m0/s1

Molecular Properties:
- Polar Surface Area: 179.0 Ų
- LogP: -3.8