3-methoxy-6-[6-methoxy-2-(piperazin-1-ylmethyl)-5-(sulfonatoamino)-4-sulfonatooxy-oxan-3-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylate

Systemtic Name: 3-methoxy-6-[6-methoxy-2-(piperazin-1-ylmethyl)-5-(sulfonatoamino)-4-sulfonatooxy-oxan-3-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylate Openeye Name: 4,5-dihydroxy-3-methoxy-6-[6-methoxy-2-(piperazin-1-ylmethyl)-5-(sulfonatoamino)-4-sulfonatooxy-tetrahydropyran-3-yl]oxy-tetrahydropyran-2-carboxylate CAS Name: 4,5-dihydroxy-3-methoxy-6-[[6-methoxy-2-(1-piperazinylmethyl)-5-(sulfonatoamino)-4-sulfonatooxy-3-oxanyl]oxy]-2-oxanecarboxylate IUPAC Name: 4,5-dihydroxy-3-methoxy-6-[6-methoxy-2-(piperazin-1-ylmethyl)-5-(sulfonatoamino)-4-sulfonatooxyoxan-3-yl]oxyoxane-2-carboxylate Traditional Name: 4,5-dihydroxy-3-methoxy-6-[6-methoxy-2-(piperazinomethyl)-4-sulfato-5-(sulfonatoamino)tetrahydropyran-3-yl]oxy-tetrahydropyran-2-carboxylate Formula: C18H30N3O16S2-3 MolecularWeight: 608.5713

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(C(OC1C(=O)[O-])OC2C(OC(C(C2OS(=O)(=O)[O-])NS(=O)(=O)[O-])OC)CN3CCNCC3)O)O

Isomeric SMILES

COC1C(C(C(OC1C(=O)[O-])OC2C(OC(C(C2OS(=O)(=O)[O-])NS(=O)(=O)[O-])OC)CN3CCNCC3)O)O

InChI

InChI=1S/C18H33N3O16S2/c1-32-14-10(22)11(23)18(36-15(14)16(24)25)35-12-8(7-21-5-3-19-4-6-21)34-17(33-2)9(20-38(26,27)28)13(12)37-39(29,30)31/h8-15,17-20,22-23H,3-7H2,1-2H3,(H,24,25)(H,26,27,28)(H,29,30,31)/p-3