(3aR,4R,5R,6S,6aS)-5-[(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-4-ol

Systemtic Name: (3aR,4R,5R,6S,6aS)-5-[(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-4-ol Openeye Name: (3aR,4R,5R,6S,6aS)-5-[(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-4-ol CAS Name: (3aR,4R,5R,6S,6aS)-5-[[(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-4-ol IUPAC Name: (3aR,4R,5R,6S,6aS)-5-[(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-4-ol Traditional Name: (3aR,4R,5R,6S,6aS)-5-[(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-4-ol Formula: C56H66N4O12 MolecularWeight: 987.14284

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC2C(C(C(C2O1)COCC3=CC=CC=C3)OC4C(C(C(C(O4)COCC5=CC=CC=C5)OC6C(C(C7C(O6)COC(O7)C8=CC=CC=C8)OCC9=CC=CC=C9)N)OCC1=CC=CC=C1)N)O

Isomeric SMILES

CN(C)C1=N[C@@H]2[C@H]([C@@H]([C@H]([C@@H]2O1)COCC3=CC=CC=C3)O[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)COCC5=CC=CC=C5)O[C@H]6[C@@H]([C@@H]([C@H]7[C@H](O6)COC(O7)C8=CC=CC=C8)OCC9=CC=CC=C9)N)OCC1=CC=CC=C1)N)O

InChI

InChI=1S/C56H66N4O12/c1-60(2)56-59-45-46(61)48(40(47(45)72-56)32-62-28-35-18-8-3-9-19-35)69-54-43(57)51(64-30-37-22-12-5-13-23-37)49(41(67-54)33-63-29-36-20-10-4-11-21-36)71-55-44(58)52(65-31-38-24-14-6-15-25-38)50-42(68-55)34-66-53(70-50)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-/m0/s1