Molecule ID: 7006473

IUPAC Name: (2S,3R)-2-[[(2S)-2-azaniumylpropanoyl]amino]-3-hydroxybutanoate

Description: The molecule is a peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Ala-Thr. It is a tautomer of an Ala-Thr.

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

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

InChI: InChI=1S/C7H14N2O4/c1-3(8)6(11)9-5(4(2)10)7(12)13/h3-5,10H,8H2,1-2H3,(H,9,11)(H,12,13)/t3-,4+,5-/m0/s1

Molecular Properties:
- Polar Surface Area: 117.0 Ų
- LogP: -3.2