1,1-Dimethylethyl (4R,6R)-6-[2-[2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[[[2-(phenylmethoxy)phenyl]amino]carbonyl]-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4-acetate

CAS Registry Number®

265989-39-7

CAS Name

1,1-Dimethylethyl (4R,6R)-6-[2-[2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[[[2-(phenylmethoxy)phenyl]amino]carbonyl]-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4-acetate

Molecular Formula

C47H53FN2O6

Molecular Mass

760.93

Cite this Page

1,1-Dimethylethyl (4R,6R)-6-[2-[2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[[[2-(phenylmethoxy)phenyl]amino]carbonyl]-1H-pyrrol-1-yl]ethyl]-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=265989-39-7 (retrieved 2024-11-28) (CAS RN: 265989-39-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C47H53FN2O6/c1-31(2)43-42(45(52)49-38-20-14-15-21-39(38)53-30-32-16-10-8-11-17-32)41(33-18-12-9-13-19-33)44(34-22-24-35(48)25-23-34)50(43)27-26-36-28-37(55-47(6,7)54-36)29-40(51)56-46(3,4)5/h8-25,31,36-37H,26-30H2,1-7H3,(H,49,52)/t36-,37-/m1/s1

InChIKey

InChIKey=VSSGOSXIVDYLJF-FZNHDDJXSA-N

SMILES

C(NC1=C(OCC2=CC=CC=C2)C=CC=C1)(=O)C=3C(=C(N(CC[C@@H]4C[C@H](CC(OC(C)(C)C)=O)OC(C)(C)O4)C3C(C)C)C5=CC=C(F)C=C5)C6=CC=CC=C6

Canonical SMILES

O=C(OC(C)(C)C)CC1OC(OC(CCN2C(C=3C=CC(F)=CC3)=C(C=4C=CC=CC4)C(C(=O)NC=5C=CC=CC5OCC=6C=CC=CC6)=C2C(C)C)C1)(C)C

Other Names for this Substance

  • 1,3-Dioxane-4-acetic acid, 6-[2-[2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[[[2-(phenylmethoxy)phenyl]amino]carbonyl]-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R,6R)-
  • 1,1-Dimethylethyl (4R,6R)-6-[2-[2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[[[2-(phenylmethoxy)phenyl]amino]carbonyl]-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4-acetate

CAS INSIGHTSTM
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