[(2R,3R,4S,5S,6R)-2-[[(4aR,6S,7R,8R,8aS)-7-azido-6-ethylsulfanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-5-acetyloxy-6-(acetyloxymethyl)-4-phenylmethoxy-oxan-3-yl] 2-chloranylethanoate

Systemtic Name: [(2R,3R,4S,5S,6R)-2-[[(4aR,6S,7R,8R,8aS)-7-azido-6-ethylsulfanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-5-acetyloxy-6-(acetyloxymethyl)-4-phenylmethoxy-oxan-3-yl] 2-chloranylethanoate Openeye Name: [(2R,3R,4S,5S,6R)-2-[[(4aR,6S,7R,8R,8aS)-7-azido-6-ethylsulfanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-5-acetoxy-6-(acetoxymethyl)-4-benzyloxy-tetrahydropyran-3-yl] 2-chloroacetate CAS Name: 2-chloroacetic acid [(2R,3R,4S,5S,6R)-2-[[(4aR,6S,7R,8R,8aS)-7-azido-6-(ethylthio)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-5-acetyloxy-6-(acetyloxymethyl)-4-phenylmethoxy-3-oxanyl] ester IUPAC Name: [(2R,3R,4S,5S,6R)-2-[[(4aR,6S,7R,8R,8aS)-7-azido-6-ethylsulfanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-5-acetyloxy-6-(acetyloxymethyl)-4-phenylmethoxyoxan-3-yl] 2-chloroacetate Traditional Name: 2-chloroacetic acid [(2R,3R,4S,5S,6R)-2-[[(4aR,6S,7R,8R,8aS)-7-azido-6-(ethylthio)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-5-acetoxy-6-(acetoxymethyl)-4-benzoxy-tetrahydropyran-3-yl] ester Formula: C34H40ClN3O12S MolecularWeight: 750.2123

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1C(C(C2C(O1)COC(O2)C3=CC=CC=C3)OC4C(C(C(C(O4)COC(=O)C)OC(=O)C)OCC5=CC=CC=C5)OC(=O)CCl)N=[N+]=[N-]

Isomeric SMILES

CCS[C@H]1[C@@H]([C@H]([C@H]2[C@H](O1)COC(O2)C3=CC=CC=C3)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)COC(=O)C)OC(=O)C)OCC5=CC=CC=C5)OC(=O)CCl)N=[N+]=[N-]

InChI

InChI=1S/C34H40ClN3O12S/c1-4-51-34-26(37-38-36)29(27-24(47-34)18-44-32(49-27)22-13-9-6-10-14-22)50-33-31(48-25(41)15-35)30(43-16-21-11-7-5-8-12-21)28(45-20(3)40)23(46-33)17-42-19(2)39/h5-14,23-24,26-34H,4,15-18H2,1-3H3/t23-,24-,26-,27-,28+,29-,30+,31-,32?,33+,34+/m1/s1