(3aS,4R,5R,6R,6aS)-4-[(2R,3R,4S,5S,6R)-5-[[(4aR,6S,7R,8S,8aS)-7-azanyl-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3-azanyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2-(dimethylamino)-6-(phenylmethoxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-5-ol

Systemtic Name: (3aS,4R,5R,6R,6aS)-4-[(2R,3R,4S,5S,6R)-5-[[(4aR,6S,7R,8S,8aS)-7-azanyl-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3-azanyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2-(dimethylamino)-6-(phenylmethoxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-5-ol Openeye Name: (3aS,4R,5R,6R,6aS)-4-[(2R,3R,4S,5S,6R)-5-[[(4aR,6S,7R,8S,8aS)-7-amino-8-benzyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3-amino-4-benzyloxy-6-(benzyloxymethyl)tetrahydropyran-2-yl]oxy-6-(benzyloxymethyl)-2-(dimethylamino)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]oxazol-5-ol CAS Name: (3aS,4R,5R,6R,6aS)-4-[[(2R,3R,4S,5S,6R)-5-[[(4aR,6S,7R,8S,8aS)-7-amino-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3-amino-4-phenylmethoxy-6-(phenylmethoxymethyl)-2-oxanyl]oxy]-2-(dimethylamino)-6-(phenylmethoxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]oxazol-5-ol IUPAC Name: (3aS,4R,5R,6R,6aS)-4-[(2R,3R,4S,5S,6R)-5-[[(4aR,6S,7R,8S,8aS)-7-amino-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3-amino-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2-(dimethylamino)-6-(phenylmethoxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-5-ol Traditional Name: (3aS,4R,5R,6R,6aS)-4-[(2R,3R,4S,5S,6R)-5-[[(4aR,6S,7R,8S,8aS)-7-amino-8-benzoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3-amino-4-benzoxy-6-(benzoxymethyl)tetrahydropyran-2-yl]oxy-6-(benzoxymethyl)-2-(dimethylamino)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]oxazol-5-ol Formula: C56H66N4O12 MolecularWeight: 987.14284

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC2C(O1)C(C(C2OC3C(C(C(C(O3)COCC4=CC=CC=C4)OC5C(C(C6C(O5)COC(O6)C7=CC=CC=C7)OCC8=CC=CC=C8)N)OCC9=CC=CC=C9)N)O)COCC1=CC=CC=C1

Isomeric SMILES

CN(C)C1=N[C@H]2[C@@H](O1)[C@@H]([C@H]([C@@H]2O[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)COCC4=CC=CC=C4)O[C@H]5[C@@H]([C@@H]([C@H]6[C@H](O5)COC(O6)C7=CC=CC=C7)OCC8=CC=CC=C8)N)OCC9=CC=CC=C9)N)O)COCC1=CC=CC=C1

InChI

InChI=1S/C56H66N4O12/c1-60(2)56-59-45-47(72-56)40(32-62-28-35-18-8-3-9-19-35)46(61)52(45)71-55-44(58)50(64-30-37-22-12-5-13-23-37)48(41(67-55)33-63-29-36-20-10-4-11-21-36)70-54-43(57)51(65-31-38-24-14-6-15-25-38)49-42(68-54)34-66-53(69-49)39-26-16-7-17-27-39/h3-27,40-55,61H,28-34,57-58H2,1-2H3/t40-,41-,42-,43-,44-,45+,46-,47+,48-,49-,50+,51+,52-,53?,54+,55+/m1/s1