Molecule ID: 44298493

IUPAC Name: (2S,3R)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-hydroxybutanoic acid

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

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

SELFIES: [C][C][C@H1][Branch1][C][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/C10H20N2O4/c1-4-5(2)7(11)9(14)12-8(6(3)13)10(15)16/h5-8,13H,4,11H2,1-3H3,(H,12,14)(H,15,16)/t5-,6+,7-,8-/m0/s1

Molecular Properties:
- Polar Surface Area: 113.0 Ų
- LogP: -3.3