Molecule ID: 53860028

IUPAC Name: (2S,3R)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid

Description: The molecule is a dipeptide obtained by formal condensation of the carboxy group of L-proline with the amino group of L-threonine. It derives from a L-threonine and a L-proline.

SMILES: C[C@@H](O)[C@H](N=C(O)[C@@H]1CCCN1)C(=O)O

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

InChI: InChI=1S/C9H16N2O4/c1-5(12)7(9(14)15)11-8(13)6-3-2-4-10-6/h5-7,10,12H,2-4H2,1H3,(H,11,13)(H,14,15)/t5-,6+,7+/m1/s1

Molecular Properties:
- Polar Surface Area: 98.7 Ų
- LogP: -4.3