N-[(1R,3S,4S)-3-[[4-[1-Ethyl-3-(phenylmethyl)-1H-pyrazol-5-yl]-1-piperidinyl]methyl]-4-(3-fluorophenyl)cyclopentyl]-N-methyl-D-valine

CAS Registry Number®

313994-79-5

CAS Name

N-[(1R,3S,4S)-3-[[4-[1-Ethyl-3-(phenylmethyl)-1H-pyrazol-5-yl]-1-piperidinyl]methyl]-4-(3-fluorophenyl)cyclopentyl]-N-methyl-D-valine

Molecular Formula

C35H47FN4O2

Molecular Mass

574.77

Cite this Page

N-[(1R,3S,4S)-3-[[4-[1-Ethyl-3-(phenylmethyl)-1H-pyrazol-5-yl]-1-piperidinyl]methyl]-4-(3-fluorophenyl)cyclopentyl]-N-methyl-D-valine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=313994-79-5 (retrieved 2024-11-22) (CAS RN: 313994-79-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    129.6-133.6 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C35H47FN4O2/c1-5-40-33(21-30(37-40)18-25-10-7-6-8-11-25)26-14-16-39(17-15-26)23-28-20-31(38(4)34(24(2)3)35(41)42)22-32(28)27-12-9-13-29(36)19-27/h6-13,19,21,24,26,28,31-32,34H,5,14-18,20,22-23H2,1-4H3,(H,41,42)/t28-,31+,32-,34-/m1/s1

InChIKey

InChIKey=ZTENZJJCFACIAK-ADWVOTLJSA-N

SMILES

C([C@@H]1[C@H](C[C@@H](N([C@H](C(C)C)C(O)=O)C)C1)C2=CC(F)=CC=C2)N3CCC(CC3)C=4N(CC)N=C(CC5=CC=CC=C5)C4

Canonical SMILES

O=C(O)C(N(C)C1CC(C=2C=CC=C(F)C2)C(CN3CCC(C4=CC(=NN4CC)CC=5C=CC=CC5)CC3)C1)C(C)C

Other Names for this Substance

  • D-Valine, N-[(1R,3S,4S)-3-[[4-[1-ethyl-3-(phenylmethyl)-1H-pyrazol-5-yl]-1-piperidinyl]methyl]-4-(3-fluorophenyl)cyclopentyl]-N-methyl-
  • N-[(1R,3S,4S)-3-[[4-[1-Ethyl-3-(phenylmethyl)-1H-pyrazol-5-yl]-1-piperidinyl]methyl]-4-(3-fluorophenyl)cyclopentyl]-N-methyl-D-valine
  • MRK 1
  • CMPD 167

CAS INSIGHTSTM
Targeted protein degrader structure, illustration