N-[(2S,3R,4R,5S,6R)-5-[[(4aR,5S,7R,8R,8aR)-8-oxidanyl-3-oxidanylidene-7-(phenylmethoxymethyl)-4,4a,5,7,8,8a-hexahydropyrano[4,3-b][1,4]oxazin-5-yl]oxy]-2-(4-methoxyphenoxy)-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-6-(phenylmethoxymethyl)oxan-3-yl]ethanamide

Systemtic Name: N-[(2S,3R,4R,5S,6R)-5-[[(4aR,5S,7R,8R,8aR)-8-oxidanyl-3-oxidanylidene-7-(phenylmethoxymethyl)-4,4a,5,7,8,8a-hexahydropyrano[4,3-b][1,4]oxazin-5-yl]oxy]-2-(4-methoxyphenoxy)-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-6-(phenylmethoxymethyl)oxan-3-yl]ethanamide Openeye Name: N-[(2S,3R,4R,5S,6R)-5-[[(4aR,5S,7R,8R,8aR)-7-(benzyloxymethyl)-8-hydroxy-3-oxo-4,4a,5,7,8,8a-hexahydropyrano[4,3-b][1,4]oxazin-5-yl]oxy]-6-(benzyloxymethyl)-2-(4-methoxyphenoxy)-4-[(2S,3S,4R,5R,6S)-3,4,5-tribenzyloxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]acetamide CAS Name: N-[(2S,3R,4R,5S,6R)-5-[[(4aR,5S,7R,8R,8aR)-8-hydroxy-3-oxo-7-(phenylmethoxymethyl)-4,4a,5,7,8,8a-hexahydropyrano[4,3-b][1,4]oxazin-5-yl]oxy]-2-(4-methoxyphenoxy)-4-[[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)-2-oxanyl]oxy]-6-(phenylmethoxymethyl)-3-oxanyl]acetamide IUPAC Name: N-[(2S,3R,4R,5S,6R)-5-[[(4aR,5S,7R,8R,8aR)-8-hydroxy-3-oxo-7-(phenylmethoxymethyl)-4,4a,5,7,8,8a-hexahydropyrano[4,3-b][1,4]oxazin-5-yl]oxy]-2-(4-methoxyphenoxy)-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide Traditional Name: N-[(2S,3R,4R,5S,6R)-5-[[(4aR,5S,7R,8R,8aR)-7-(benzoxymethyl)-8-hydroxy-3-keto-4,4a,5,7,8,8a-hexahydropyrano[4,3-b][1,4]oxazin-5-yl]oxy]-6-(benzoxymethyl)-2-(4-methoxyphenoxy)-4-[(2S,3S,4R,5R,6S)-3,4,5-tribenzoxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]acetamide Formula: C64H72N2O16 MolecularWeight: 1125.26028

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(C(OC(C2OC3C4C(C(C(O3)COCC5=CC=CC=C5)O)OCC(=O)N4)COCC6=CC=CC=C6)OC7=CC=C(C=C7)OC)NC(=O)C)OCC8=CC=CC=C8)OCC9=CC=CC=C9)OCC1=CC=CC=C1

Isomeric SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O[C@H]3[C@H]4[C@H]([C@H]([C@H](O3)COCC5=CC=CC=C5)O)OCC(=O)N4)COCC6=CC=CC=C6)OC7=CC=C(C=C7)OC)NC(=O)C)OCC8=CC=CC=C8)OCC9=CC=CC=C9)OCC1=CC=CC=C1

InChI

InChI=1S/C64H72N2O16/c1-41-56(73-35-45-23-13-6-14-24-45)60(74-36-46-25-15-7-16-26-46)61(75-37-47-27-17-8-18-28-47)64(77-41)82-59-54(65-42(2)67)62(78-49-31-29-48(70-3)30-32-49)80-51(39-72-34-44-21-11-5-12-22-44)57(59)81-63-53-58(76-40-52(68)66-53)55(69)50(79-63)38-71-33-43-19-9-4-10-20-43/h4-32,41,50-51,53-64,69H,33-40H2,1-3H3,(H,65,67)(H,66,68)/t41-,50+,51+,53+,54+,55-,56+,57+,58+,59+,60+,61-,62+,63-,64-/m0/s1