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CAS 110143-57-2

:

(2S,6R)-6-[[1(s)-Ethoxycarbonyl-3-phenylpropyl]amino]-5-oxo-(2-thienyl)perhydro-1,4-thiazepine

Description:
The chemical substance known as (2S,6R)-6-[[1(S)-Ethoxycarbonyl-3-phenylpropyl]amino]-5-oxo-(2-thienyl)perhydro-1,4-thiazepine, with the CAS number 110143-57-2, is a complex organic compound characterized by its thiazepine core structure, which incorporates a thienyl group and an ethoxycarbonyl-phenylpropyl substituent. This compound features a stereocenter, indicated by the (2S,6R) configuration, which contributes to its potential biological activity and specificity in interactions with biological targets. The presence of the thiazepine ring suggests possible pharmacological properties, as thiazepines are often explored for their therapeutic effects. Additionally, the ethoxycarbonyl group may enhance solubility and bioavailability. The compound's unique structure may allow for interactions with various receptors or enzymes, making it of interest in medicinal chemistry and drug development. However, specific biological activities, toxicity, and pharmacokinetic properties would require further investigation through experimental studies and literature review.
Formula:C21H26N2O3S2
InChI:InChI=1/C21H26N2O3S2/c1-2-26-21(25)16(11-10-15-7-4-3-5-8-15)23-17-14-28-19(13-22-20(17)24)18-9-6-12-27-18/h3-9,12,16-17,19,23H,2,10-11,13-14H2,1H3,(H,22,24)/t16-,17-,19-/m0/s1
SMILES:CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CS[C@@H](CN=C1O)c1cccs1
Synonyms:
  • (2S,6R)-6-[[1(s)-Ethoxycarbonyl-3-Phenylpropyl]Amino]-5-Oxo-(2-Thienyl)Perhydro-
  • (2S,6R)-6-[[(1S)-1-ethoxycarbonyl]-3- phenylpropyl]amino]-2-(2-thienyl)-1,4-thiazepan-5-one
  • [2S-[2a,6b(R*)]]-alpha-[[Hexahydro-5-oxo-2-(2-thienyl)-1,4-thiazepin-6-yl]amino]-benzenebutanoic acid ethyl ester
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