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-valineMolecular Formula
C35H47FN4O2Molecular Mass
574.77Cite 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 ) (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