N-[(2R,4aR,6S,7R,8S,8aS)-6-[(2R,3S,4S,5R,6R)-5-acetamido-4-oxidanyl-6-prop-2-enoxy-2-[(triphenylmethyl)oxymethyl]oxan-3-yl]oxy-8-oxidanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]ethanamide

Systemtic Name: N-[(2R,4aR,6S,7R,8S,8aS)-6-[(2R,3S,4S,5R,6R)-5-acetamido-4-oxidanyl-6-prop-2-enoxy-2-[(triphenylmethyl)oxymethyl]oxan-3-yl]oxy-8-oxidanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]ethanamide Openeye Name: N-[(2R,4aR,6S,7R,8S,8aS)-6-[(2R,3S,4S,5R,6R)-5-acetamido-6-allyloxy-4-hydroxy-2-(trityloxymethyl)tetrahydropyran-3-yl]oxy-8-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide CAS Name: N-[(2R,4aR,6S,7R,8S,8aS)-6-[[(2R,3S,4S,5R,6R)-5-acetamido-4-hydroxy-6-prop-2-enoxy-2-[(triphenylmethyl)oxymethyl]-3-oxanyl]oxy]-8-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide IUPAC Name: N-[(2R,4aR,6S,7R,8S,8aS)-6-[(2R,3S,4S,5R,6R)-5-acetamido-4-hydroxy-6-prop-2-enoxy-2-(trityloxymethyl)oxan-3-yl]oxy-8-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide Traditional Name: N-[(2R,4aR,6S,7R,8S,8aS)-6-[(2R,3S,4S,5R,6R)-5-acetamido-6-allyloxy-4-hydroxy-2-(trityloxymethyl)tetrahydropyran-3-yl]oxy-8-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide Formula: C45H50N2O11 MolecularWeight: 794.8853

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C2C(COC(O2)C3=CC=CC=C3)OC1OC4C(OC(C(C4O)NC(=O)C)OCC=C)COC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)O

Isomeric SMILES

CC(=O)N[C@@H]1[C@@H]([C@H]2[C@@H](CO[C@H](O2)C3=CC=CC=C3)O[C@H]1O[C@@H]4[C@H](O[C@H]([C@@H]([C@@H]4O)NC(=O)C)OCC=C)COC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)O

InChI

InChI=1S/C45H50N2O11/c1-4-25-52-43-36(46-28(2)48)38(50)41(58-44-37(47-29(3)49)39(51)40-34(56-44)26-53-42(57-40)30-17-9-5-10-18-30)35(55-43)27-54-45(31-19-11-6-12-20-31,32-21-13-7-14-22-32)33-23-15-8-16-24-33/h4-24,34-44,50-51H,1,25-27H2,2-3H3,(H,46,48)(H,47,49)/t34-,35-,36-,37-,38+,39+,40-,41-,42-,43-,44+/m1/s1