[(2R,3S,4S,5R,6R)-2-[2-[2-[ethanoyl(phenylcarbonyl)amino]ethanoylamino]ethoxy]-3,5-disulfooxy-6-(sulfooxymethyl)oxan-4-yl] hydrogen sulfate

Systemtic Name: [(2R,3S,4S,5R,6R)-2-[2-[2-[ethanoyl(phenylcarbonyl)amino]ethanoylamino]ethoxy]-3,5-disulfooxy-6-(sulfooxymethyl)oxan-4-yl] hydrogen sulfate Openeye Name: [(2R,3S,4S,5R,6R)-2-[2-[[2-[acetyl(benzoyl)amino]acetyl]amino]ethoxy]-3,5-disulfooxy-6-(sulfooxymethyl)tetrahydropyran-4-yl] hydrogen sulfate CAS Name: sulfuric acid [(2R,3S,4S,5R,6R)-2-[2-[[2-[acetyl(benzoyl)amino]-1-oxoethyl]amino]ethoxy]-3,5-disulfooxy-6-(sulfooxymethyl)-4-oxanyl] ester IUPAC Name: [(2R,3S,4S,5R,6R)-2-[2-[[2-[acetyl(benzoyl)amino]acetyl]amino]ethoxy]-3,5-disulfooxy-6-(sulfooxymethyl)oxan-4-yl] hydrogen sulfate Traditional Name: sulfuric acid [(2R,3S,4S,5R,6R)-2-[2-[[2-[acetyl(benzoyl)amino]acetyl]amino]ethoxy]-3,5-disulfoxy-6-(sulfoxymethyl)tetrahydropyran-4-yl] ester Formula: C19H26N2O21S4 MolecularWeight: 746.67054

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CC(=O)NCCOC1C(C(C(C(O1)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)C(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)N(CC(=O)NCCO[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H26N2O21S4/c1-11(22)21(18(24)12-5-3-2-4-6-12)9-14(23)20-7-8-37-19-17(42-46(34,35)36)16(41-45(31,32)33)15(40-44(28,29)30)13(39-19)10-38-43(25,26)27/h2-6,13,15-17,19H,7-10H2,1H3,(H,20,23)(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36)/t13-,15-,16+,17+,19-/m1/s1