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CAS 307983-31-9

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b-Alanine,N-[4-[[[trans-4-(1,1-dimethylethyl)cyclohexyl][[[4-(trifluoromethoxy)phenyl]amino]carbonyl]amino]methyl]benzoyl]-

Description:
The chemical substance known as b-Alanine, N-[4-[[[trans-4-(1,1-dimethylethyl)cyclohexyl][[[4-(trifluoromethoxy)phenyl]amino]carbonyl]amino]methyl]benzoyl]- (CAS number 307983-31-9) is a complex organic compound characterized by its multi-functional structure. It features a b-alanine backbone, which is an amino acid known for its role in various biochemical processes, particularly in the synthesis of proteins and as a neurotransmitter. The compound contains a bulky trans-4-(1,1-dimethylethyl)cyclohexyl group, which contributes to its steric properties, and a trifluoromethoxy-substituted phenyl ring, enhancing its lipophilicity and potentially influencing its biological activity. The presence of multiple functional groups, including amine and carbonyl moieties, suggests that this compound may engage in various chemical interactions, making it of interest in medicinal chemistry and drug design. Its unique structure may also impart specific pharmacological properties, although detailed studies would be necessary to elucidate its biological effects and potential applications.
Formula:C29H36F3N3O5
InChI:InChI=1S/C29H36F3N3O5/c1-28(2,3)21-8-12-23(13-9-21)35(27(39)34-22-10-14-24(15-11-22)40-29(30,31)32)18-19-4-6-20(7-5-19)26(38)33-17-16-25(36)37/h4-7,10-11,14-15,21,23H,8-9,12-13,16-18H2,1-3H3,(H,33,38)(H,34,39)(H,36,37)
InChI key:BZXMLCVDKDXRQY-UHFFFAOYSA-N
SMILES:CC(C)(C)C1CCC(CC1)N(CC2=CC=C(C=C2)C(=O)NCCC(=O)O)C(=O)NC3=CC=C(C=C3)OC(F)(F)F
Synonyms:
  • GRA Ex-25
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