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CAS 445479-97-0

:

rel-2-[[[(1-Methylethyl)amino]carbonyl]amino]-N-[2-[[(1R,2S)-2-[[4-(methylthio)benzoyl]amino]cyclohexyl]amino]-2-oxoethyl]-5-(trifluoromethyl)benzamide

Description:
The chemical substance known as rel-2-[[[(1-Methylethyl)amino]carbonyl]amino]-N-[2-[[(1R,2S)-2-[[4-(methylthio)benzoyl]amino]cyclohexyl]amino]-2-oxoethyl]-5-(trifluoromethyl)benzamide, with the CAS number 445479-97-0, is a complex organic compound characterized by its multi-functional structure. It features a benzamide core, which is modified with various substituents, including a trifluoromethyl group and a methylthio group, contributing to its unique chemical properties. The presence of multiple amine and carbonyl functional groups suggests potential for hydrogen bonding and reactivity in biological systems. This compound may exhibit specific pharmacological activities, making it of interest in medicinal chemistry. Its stereochemistry, indicated by the (1R,2S) configuration, suggests that it may have distinct biological activity based on its three-dimensional arrangement. Overall, this substance is likely to be studied for its potential applications in drug development or as a biochemical probe, although specific biological activities and properties would require empirical investigation.
Formula:C28H34F3N5O4S
InChI:InChI=1/C28H34F3N5O4S/c1-16(2)33-27(40)36-21-13-10-18(28(29,30)31)14-20(21)26(39)32-15-24(37)34-22-6-4-5-7-23(22)35-25(38)17-8-11-19(41-3)12-9-17/h8-14,16,22-23H,4-7,15H2,1-3H3,(H,32,39)(H,34,37)(H,35,38)(H2,33,36,40)/t22-,23+/s2
InChI key:InChIKey=IBPXYDUJQWENPM-VUEPYQETNA-N
SMILES:C(NCC(N[C@@H]1[C@H](NC(=O)C2=CC=C(SC)C=C2)CCCC1)=O)(=O)C3=C(NC(NC(C)C)=O)C=CC(C(F)(F)F)=C3
Synonyms:
  • 2-[(Isopropylaminocarbonyl)amino]-N-[2-[[cis-2-[[4-(methylthio)benzoyl]amino]cyclohexyl]amino]-2-oxoethyl]-5-(trifluoromethyl)benzamide
  • rel-2-[[[(1-Methylethyl)amino]carbonyl]amino]-N-[2-[[(1R,2S)-2-[[4-(methylthio)benzoyl]amino]cyclohexyl]amino]-2-oxoethyl]-5-(trifluoromethyl)benzamide
  • Benzamide, 2-[[[(1-methylethyl)amino]carbonyl]amino]-N-[2-[[(1R,2S)-2-[[4-(methylthio)benzoyl]amino]cyclohexyl]amino]-2-oxoethyl]-5-(trifluoromethyl)-, rel-
  • BMS CCR 2-22
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Found 3 products.