4-[2-Amino-6-[(1R)-1-[4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-4-pyrimidinyl]-N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanine ethyl ester

CAS Registry Number®

1125828-44-5
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CAS Name

4-[2-Amino-6-[(1R)-1-[4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-4-pyrimidinyl]-N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanine ethyl ester

Molecular Formula

C32H34ClF3N6O5

Molecular Mass

675.10

Cite this Page

4-[2-Amino-6-[(1R)-1-[4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-4-pyrimidinyl]-N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanine ethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1125828-44-5 (retrieved 2024-08-08) (CAS RN: 1125828-44-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C32H34ClF3N6O5/c1-6-45-28(43)24(39-30(44)47-31(3,4)5)15-19-7-9-20(10-8-19)23-17-26(40-29(37)38-23)46-27(32(34,35)36)22-12-11-21(33)16-25(22)42-14-13-18(2)41-42/h7-14,16-17,24,27H,6,15H2,1-5H3,(H,39,44)(H2,37,38,40)/t24-,27+/m0/s1

InChIKey

InChIKey=JUEFSIDRRRBOKI-RPLLCQBOSA-N

SMILES

[C@H](OC=1C=C(N=C(N)N1)C2=CC=C(C[C@H](NC(OC(C)(C)C)=O)C(OCC)=O)C=C2)(C(F)(F)F)C3=C(C=C(Cl)C=C3)N4C=CC(C)=N4

Canonical SMILES

O=C(OC(C)(C)C)NC(C(=O)OCC)CC=1C=CC(=CC1)C=2N=C(N=C(OC(C3=CC=C(Cl)C=C3N4N=C(C=C4)C)C(F)(F)F)C2)N

Other Names for this Substance

  • L-Phenylalanine, 4-[2-amino-6-[(1R)-1-[4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-4-pyrimidinyl]-N-[(1,1-dimethylethoxy)carbonyl]-, ethyl ester
  • 4-[2-Amino-6-[(1R)-1-[4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-4-pyrimidinyl]-N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanine ethyl ester