Molecule ID: 22795536

IUPAC Name: (3S)-3-amino-4-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-4-oxobutanoic acid

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

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

SELFIES: [C][C@@H1][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][=O][O]

InChI: InChI=1S/C8H14N2O6/c1-3(11)6(8(15)16)10-7(14)4(9)2-5(12)13/h3-4,6,11H,2,9H2,1H3,(H,10,14)(H,12,13)(H,15,16)/t3-,4+,6+/m1/s1

Molecular Properties:
- Polar Surface Area: 150.0 Ų
- LogP: -4.7