Molecule ID: 71464633

IUPAC Name: (3S)-3-amino-4-[(2S)-2-[[(2S)-1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxobutanoic acid

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

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

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

InChI: InChI=1S/C15H24N4O9/c16-7(4-11(22)23)14(26)19-3-1-2-10(19)13(25)17-8(5-20)12(24)18-9(6-21)15(27)28/h7-10,20-21H,1-6,16H2,(H,17,25)(H,18,24)(H,22,23)(H,27,28)/t7-,8-,9-,10-/m0/s1

Molecular Properties:
- Polar Surface Area: 220.0 Ų
- LogP: -7.9