Molecule ID: 90659831

IUPAC Name: N-[(2R,3R,4S,5S,6S)-4-[(2R,3S,4S,5S,6R)-5-formamido-3,4-dihydroxy-6-methyloxan-2-yl]oxy-5,6-dihydroxy-2-methyloxan-3-yl]formamide

Description: The molecule is an amino disaccharide consisting of two N-formyl-alpha-D-perosamine residues linked (1->3); forms the minimal structure for the M epitope of Brucella spp. It has a role as an epitope.

SMILES: C[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)O[C@H](C)[C@H]2N=CO)[C@@H](O)[C@@H](O)[C@@H]1N=CO

SELFIES: [C][C@H1][O][C@H1][Branch2][Ring1][=Branch1][O][C@@H1][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][O][C@H1][Branch1][C][C][C@H1][Ring1][=Branch2][N][=C][O][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring2][Ring1][Branch1][N][=C][O]

InChI: InChI=1S/C14H24N2O9/c1-5-7(15-3-17)9(19)10(20)14(24-5)25-12-8(16-4-18)6(2)23-13(22)11(12)21/h3-14,19-22H,1-2H3,(H,15,17)(H,16,18)/t5-,6-,7-,8-,9+,10+,11+,12+,13+,14-/m1/s1

Molecular Properties:
- Polar Surface Area: 167.0 Ų
- LogP: -3.2