(3S)-3-[(4S)-2-Amino-3-alpha-D-mannopyranosyl-1-aza-3-azonia-2-cyclopentene-4alpha-yl]cyclo[D-Ser-L-Ser-Gly-[(betaS)-beta-methyl-L-Phe-]-O-[4-O-[6-O-[4-(benzyloxy)phenyl]-alpha-D-mannopyranosyl]-alpha-D-mannopyranosyl]-D-Tyr-[(3S)-3-[(4S)-2-amino-1-aza-3-azonia-2-cyclopentene-4alpha-yl]-L-Ser-]-]

Compound Identifiers & Properties

PubChem CID

101344426

SMILES

C[C@@H]([C@@H]1C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=[NH+]CC(=N1)[O-])O)CO)[C@@H]([C@@H]2CNC(=[N+]2[C@H]3[C@H]([C@H]([C@H]([C@@H](O3)CO)O)O)O)N)O)[C@@H]([C@@H]4C[NH+]=C(N4)N)O)CC5=CC=C(C=C5)O[C@H]6[C@@H](C([C@H]([C@H](O6)CO)O[C@H]7[C@H]([C@H]([C@H]([C@@H](O7)COC8=CC=C(C=C8)OCC9=CC=CC=C9)O)O)O)O)O)C1=CC=CC=C1

Canonical SMILES

C[C@H](c1ccccc1)[C@H]1N=C([O-])C[NH+]=C(O)[C@H](CO)NC(=O)[C@@H]([C@H](O)[C@@H]2CNC(N)=[N+]2[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]2O)NC(=O)[C@H]([C@H](O)[C@@H]2C[NH+]=C(N)N2)NC(=O)[C@@H](Cc2ccc(O[C@@H]3O[C@H](CO)[C@H](O[C@@H]4O[C@@H](COc5ccc(OCc6ccccc6)cc5)[C@H](O)[C@H](O)[C@@H]4O)C(O)[C@H]3O)cc2)NC1=O