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CAS 327156-92-3

:

(2S)-2-[(tert-butoxycarbonyl)amino]-4-{[(prop-2-en-1-yloxy)carbonyl]amino}butanoic acid - N-cyclohexylcyclohexanamine (1:1)

Description:
The chemical substance with the name "(2S)-2-[(tert-butoxycarbonyl)amino]-4-{[(prop-2-en-1-yloxy)carbonyl]amino}butanoic acid - N-cyclohexylcyclohexanamine (1:1)" and CAS number "327156-92-3" is a complex organic compound characterized by its specific stereochemistry and functional groups. It features a butanoic acid backbone with multiple substituents, including a tert-butoxycarbonyl (Boc) group and an allyloxycarbonyl moiety, which contribute to its reactivity and solubility properties. The presence of the cyclohexylamine component suggests potential applications in medicinal chemistry, particularly in drug design, due to its ability to interact with biological targets. The compound's structure indicates it may exhibit specific conformational characteristics and steric hindrance due to the bulky groups, influencing its pharmacokinetic properties. Additionally, the presence of both amine and carboxylic acid functional groups suggests it could participate in various chemical reactions, including peptide bond formation and other coupling reactions, making it a valuable intermediate in synthetic organic chemistry.
Formula:C25H45N3O6
InChI:InChI=1/C13H22N2O6.C12H23N/c1-5-8-20-11(18)14-7-6-9(10(16)17)15-12(19)21-13(2,3)4;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h5,9H,1,6-8H2,2-4H3,(H,14,18)(H,15,19)(H,16,17);11-13H,1-10H2/t9-;/m0./s1
SMILES:C=CCOC(=NCC[C@@H](C(=O)O)N=C(O)OC(C)(C)C)O.C1CCC(CC1)NC1CCCCC1
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