N-Benzyl-N-benzyloxycarbonyl-5-aminopentyl [2-azido-3-O-(4-bromobenzyl)-2-deoxy-4-O-(2-naphthylmethyl)-alpha-D-glucopyranosyl]-(1-->4)-(3-O-benzyl-2-O-sulfonato-alpha-L-iduronopyranosyl)-(1-->4)-[2-azido-3-O-(4-bromobenzyl)-2-deoxy-alpha-D-glucopyranosyl]-(1-->4)-(3-O-benzyl-2-O-sulfonato-beta-D-glucuronopyranosyl)-(1-->4)-[2-azido-3-O-(4-bromobenzyl)-2-deoxy-alpha-D-glucopyranosyl)-(1-->4)-(3-O-benzyl-2-O-sulfonato-alpha-L-iduronopyranosyl)-(1-->4)-[2-azido-3-O-(4-bromobenzyl)-2-deoxy-alpha-D-glucopyranosyl]-(1-->4)-3-O-benzyl-2-O-sulfonato-beta-D-glucuronopyranoside octasodium salt

化合物标识与属性

PubChem CID

137334168

SMILES

C/C(=C\C=C\Br)/CO[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)[O-])O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)C(=O)[O-])O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)OCC6=CC7=CC=CC=C7C=C6)OCC8=CC=C(C=C8)Br)N=[N+]=[N-])OCC9=CC=CC=C9)OS(=O)(=O)[O-])OCC1=CC=C(C=C1)Br)N=[N+]=[N-])OCC1=CC=CC=C1)OS(=O)(=O)[O-])CO)O[C@H]1[C@@H]([C@H]([C@@H](O[C@H]1C(=O)[O-])O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1OCC1=CC=C(C=C1)Br)N=[N+]=[N-])O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1C(=O)[O-])OCCCCCN(CC1=CC=CC=C1)C(=O)OCC1=CC=CC=C1)OS(=O)(=O)[O-])OCC1=CC=CC=C1)CO)OS(=O)(=O)[O-])OCC1=CC=CC=C1)N=[N+]=[N-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

Canonical SMILES

C/C(=C\C=C\Br)CO[C@@H]1[C@@H](N=[N+]=[N-])[C@@H](O[C@H]2[C@H](OCc3ccccc3)[C@@H](OS(=O)(=O)[O-])[C@H](O[C@H]3[C@H](OCc4ccc(Br)cc4)[C@@H](N=[N+]=[N-])[C@@H](O[C@H]4[C@H](OCc5ccccc5)[C@@H](OS(=O)(=O)[O-])[C@H](OCCCCCN(Cc5ccccc5)C(=O)OCc5ccccc5)O[C@@H]4C(=O)[O-])O[C@@H]3CO)O[C@H]2C(=O)[O-])O[C@H](CO)[C@H]1O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C(=O)[O-])[C@@H](O[C@H]4O[C@H](CO)[C@@H](OCc5ccc6ccccc6c5)[C@H](OCc5ccc(Br)cc5)[C@H]4N=[N+]=[N-])[C@H](OCc4ccccc4)[C@H]3OS(=O)(=O)[O-])[C@H](OCc3ccc(Br)cc3)[C@H]2N=[N+]=[N-])[C@H](OCc2ccccc2)[C@H]1OS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]