Temocaprilhydrochloride
2-[(2S)-6-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid;hydrochloride
Also Known As: temocapril hydrochloride|Temocapril|Temocapril HCl|temocaprilhydrochloride|Glt-leu-phe-NH-meq|Temocapril(hydrochloride)|CS 622|CS-622|Temocapril hydrochloride [USAN:JAN]|CS622|KST-1A0555|AN-6311|KS-00001F77|7-Glutaryl-leucyl-phenylalaninamide-4-methyl-2-quinolinone|[(2s)-6-{[(2s)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}-5-oxo-2-(thiophen-2-yl)-1,4-thiazepan-4-yl]acetic acid hydrochloride(1:1)|(+)-(2S,6R)-6-(((1S)-1-Carboxy-3-phenylpropyl)amino)tetrahydro-5-oxo-2-(2-thienyl)-1,4-thiazepine-4(5H)-acetic acid, 6-ethyl ester, monohydrochloride|1,4-Thiazepine-4(5H)-aceticacid,6-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]tetrahydro-5-oxo-2-(2-thienyl)-,hydrochloride (1:1), (2S,6R)-|1,4-Thiazepine-4(5H)-acetic acid, 6-((1-(ethoxycarbonyl)-3-phenylpropyl)amino)tetrahydro-5-oxo-2-(2-thienyl)-, monohydrochloride, (2S-(2alpha,6beta(R*)))-|1,4-Thiazepine-4-(5H)-acetic acid, 6-((1-(ethoxycarbonyl)-3-phenylpropyl)amino)tetrahydro-5-oxo-2-(2-thienyl)-, monohydrochloride, (2S-(2alpha,6beta(R*)))-|2-((2S)-6-(((S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino)-5-oxo-2-(thiophen-2-yl)-1,4-thiazepan-4-yl)acetic acid hydrochloride|2-[(2S)-6-[[(1S)-1-ethoxycarbonyl-3-phenyl-propyl]amino]-5-oxo-2-(2-thienyl)-1,4-thiazepan-4-yl]acetic acid hydrochloride|2-[(2S)-6-[[(1S)-1-ethoxycarbonyl-3-phenyl-propyl]amino]-5-oxo-2-(2-thienyl)-1,4-thiazepan-4-yl]acetic acid;hydrochloride|2-[(2S)-6-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid hydrochloride|alpha-((2S,6R)-6-((1S)-1-ethoxycarbonyl-3-phenylpropyl)amino-5-oxo-2-(2-thienyl)perhydro-1,4-thiazepin-4-yl)acetic acid.HCl
| Molecular Formula | C23H29ClN2O5S2 |
|---|---|
| Molecular Weight | 512.12067 g/mol |
| LogP | 3.39 |
| Topological Polar Surface Area | 95.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 512.12067 |
| Heavy Atoms | 33 |
| Complexity | 897.5 |
Chemical Identifiers
| CAS Number | 110221-44-8 |
|---|---|
| SMILES | CCOC(=O)[C@H](CCC1=CC=CC=C1)NC2CS[C@@H](CN(C2=O)CC(=O)O)C3=CC=CS3.Cl |
Product Overview
Temocaprilhydrochloride (CAS 110221-44-8), with molecular formula C23H29ClN2O5S2 and molecular weight 512.12067 g/mol. IUPAC: 2-[(2S)-6-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid;hydrochloride.
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