1-[1-O-[2-[5-[(1beta,5beta)-3-Oxo-7-thia-2,4-diazabicyclo[3.3.0]octane-6alpha-yl]pentanoylamino]ethyl]-2-(acetylamino)-2,3-dideoxy-beta-D-glucopyranose-3-yloxy]-4-[2-(acetylamino)-2,3,4-trideoxy-beta-D-glucopyranose-4-yloxy]-1,4-dideoxy-beta-D-glucopyranuronic acid sodium salt

化合物标识与属性

PubChem CID

102590527

SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O[C@H]5C[C@H]([C@@H](O[C@@H]5CO)O)N=C(C)[O-])O)O.[Na+]

Canonical SMILES

CC(=O)N[C@H]1[C@H](OCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[C@H]2C[C@@H](N=C(C)[O-])[C@H](O)O[C@@H]2CO)[C@H](O)[C@H]1O.[Na+]