Methyl (3R,6E)-7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3-hydroxy-5-oxo-6-heptenoate

CAS Registry Number®

147118-39-6
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CAS Name

Methyl (3R,6E)-7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3-hydroxy-5-oxo-6-heptenoate

Molecular Formula

C23H28FN3O6S

Molecular Mass

493.55

Cite this Page

Methyl (3R,6E)-7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3-hydroxy-5-oxo-6-heptenoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=147118-39-6 (retrieved 2024-05-02) (CAS RN: 147118-39-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H28FN3O6S/c1-14(2)21-19(11-10-17(28)12-18(29)13-20(30)33-4)22(15-6-8-16(24)9-7-15)26-23(25-21)27(3)34(5,31)32/h6-11,14,18,29H,12-13H2,1-5H3/b11-10+/t18-/m1/s1

InChIKey

InChIKey=ULUNETUXUVEFLH-DOJUMQAQSA-N

SMILES

C(=C/C(C[C@H](CC(OC)=O)O)=O)\C=1C(=NC(N(S(C)(=O)=O)C)=NC1C(C)C)C2=CC=C(F)C=C2

Canonical SMILES

O=C(OC)CC(O)CC(=O)C=CC=1C(=NC(=NC1C(C)C)N(C)S(=O)(=O)C)C=2C=CC(F)=CC2

Other Names for this Substance

  • 6-Heptenoic acid, 7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3-hydroxy-5-oxo-, methyl ester, (3R,6E)-
  • 6-Heptenoic acid, 7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3-hydroxy-5-oxo-, methyl ester, [R-(E)]-
  • Methyl (3R,6E)-7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3-hydroxy-5-oxo-6-heptenoate

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