N-[(2R,4aR,6S,7R,8R,8aS)-6-[(2R,3S,4R,5R,6S)-5-acetamido-4-oxidanyl-6-phenylsulfanyl-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,8R,8aS)-6-[(2R,3S,4R,5R,6S)-5-acetamido-4-oxidanyl-6-phenylsulfanyl-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,8R,8aS)-6-[(2R,3S,4R,5R,6S)-5-acetamido-4-hydroxy-6-phenylsulfanyl-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,8R,8aS)-6-[[(2R,3S,4R,5R,6S)-5-acetamido-4-hydroxy-6-(phenylthio)-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,8R,8aS)-6-[(2R,3S,4R,5R,6S)-5-acetamido-4-hydroxy-6-phenylsulfanyl-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,8R,8aS)-6-[(2R,3S,4R,5R,6S)-5-acetamido-4-hydroxy-6-(phenylthio)-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: C48H50N2O10S MolecularWeight: 846.983

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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)SC5=CC=CC=C5)COC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)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)SC5=CC=CC=C5)COC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)O

InChI

InChI=1S/C48H50N2O10S/c1-30(51)49-39-41(53)43-37(28-55-45(59-43)32-18-8-3-9-19-32)57-46(39)60-44-38(58-47(40(42(44)54)50-31(2)52)61-36-26-16-7-17-27-36)29-56-48(33-20-10-4-11-21-33,34-22-12-5-13-23-34)35-24-14-6-15-25-35/h3-27,37-47,53-54H,28-29H2,1-2H3,(H,49,51)(H,50,52)/t37-,38-,39-,40-,41-,42-,43-,44-,45-,46+,47+/m1/s1