1,1-Dimethylethyl (4R,6S)-6-[(1E)-2-[4-(4-fluorophenyl)-2-[[(2-hydroxy-2-methylpropyl)sulfonyl]methylamino]-6-(1-methylethyl)-5-pyrimidinyl]ethenyl]-2,2-dimethyl-1,3-dioxane-4-acetate

CAS Registry Number®

1714147-51-9

CAS Name

1,1-Dimethylethyl (4R,6S)-6-[(1E)-2-[4-(4-fluorophenyl)-2-[[(2-hydroxy-2-methylpropyl)sulfonyl]methylamino]-6-(1-methylethyl)-5-pyrimidinyl]ethenyl]-2,2-dimethyl-1,3-dioxane-4-acetate

Molecular Formula

C32H46FN3O7S

Molecular Mass

635.79

Cite this Page

1,1-Dimethylethyl (4R,6S)-6-[(1E)-2-[4-(4-fluorophenyl)-2-[[(2-hydroxy-2-methylpropyl)sulfonyl]methylamino]-6-(1-methylethyl)-5-pyrimidinyl]ethenyl]-2,2-dimethyl-1,3-dioxane-4-acetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1714147-51-9 (retrieved 2024-11-22) (CAS RN: 1714147-51-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C32H46FN3O7S/c1-20(2)27-25(16-15-23-17-24(42-32(8,9)41-23)18-26(37)43-30(3,4)5)28(21-11-13-22(33)14-12-21)35-29(34-27)36(10)44(39,40)19-31(6,7)38/h11-16,20,23-24,38H,17-19H2,1-10H3/b16-15+/t23-,24-/m1/s1

InChIKey

InChIKey=JJJKCHVISGZLMJ-KDBREVJYSA-N

SMILES

C(=C/[C@@H]1C[C@H](CC(OC(C)(C)C)=O)OC(C)(C)O1)\C=2C(=NC(N(S(CC(C)(C)O)(=O)=O)C)=NC2C(C)C)C3=CC=C(F)C=C3

Canonical SMILES

O=C(OC(C)(C)C)CC1OC(OC(C=CC=2C(=NC(=NC2C(C)C)N(C)S(=O)(=O)CC(O)(C)C)C=3C=CC(F)=CC3)C1)(C)C

Other Names for this Substance

  • 1,3-Dioxane-4-acetic acid, 6-[(1E)-2-[4-(4-fluorophenyl)-2-[[(2-hydroxy-2-methylpropyl)sulfonyl]methylamino]-6-(1-methylethyl)-5-pyrimidinyl]ethenyl]-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R,6S)-
  • 1,1-Dimethylethyl (4R,6S)-6-[(1E)-2-[4-(4-fluorophenyl)-2-[[(2-hydroxy-2-methylpropyl)sulfonyl]methylamino]-6-(1-methylethyl)-5-pyrimidinyl]ethenyl]-2,2-dimethyl-1,3-dioxane-4-acetate

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