Molecule ID: 46878548

IUPAC Name: (2S)-2-formamido-6-[[(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl]amino]hexanoic acid

Description: The molecule is a glyco-amino acid consisting of a D-fructosyl residue attached to the epsilon-amino group of N(alpha)-formyl-L-lysine. It is a glyco-amino acid, a fructosamine and a member of formamides.

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

SELFIES: [O][=C][Branch1][C][O][C@H1][Branch2][Ring1][=Branch2][C][C][C][C][N][C][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O][N][=C][O]

InChI: InChI=1S/C13H24N2O8/c16-6-10(19)12(21)11(20)9(18)5-14-4-2-1-3-8(13(22)23)15-7-17/h7-8,10-12,14,16,19-21H,1-6H2,(H,15,17)(H,22,23)/t8-,10+,11+,12+/m0/s1

Molecular Properties:
- Polar Surface Area: 176.0 Ų
- LogP: -5.2