Account 2-((2S,6R)-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
- Catalog No. :
- ACSIGU291
- CAS No. :
- 110221-44-8
- Molecular Formula :
- C23H29ClN2O5S2
- Molecular Weight :
- 513.08
IUPAC Name:2-((2S,6R)-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
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Product Information
| Product Name | 2-((2S,6R)-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 |
|---|---|
| IUPAC Name | 2-((2S,6R)-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 |
| Molecular Formula | C23H29ClN2O5S2 |
| Molecular Weight | 513.08 |
| SMILES | O=C(O)CN1C[C@@H](C2=CC=CS2)SC[C@H](N[C@@H](CCC3=CC=CC=C3)C(OCC)=O)C1=O.[H]Cl |
| InChI Key | XDDQNOKKZKHBIX-ASBZXGSUSA-N |
| Synonym | 1,4-THIAZEPINE-4(5H)-ACETIC ACID, 6-(((1S)-1-(ETHOXYCARBONYL)-3-PHENYLPROPYL)AMINO)TETRAHYDRO-5-OXO-2-(2-THIENYL)-, HYDROCHLORIDE (1:1), (2S,6R)- | Acecol | CAS-110221-44-8 | Tox21_112803_1 | Temocapril (hydrochloride) | AC-757 | DTXSID7046914 | TEMOCAPRI |
| CAS No. | 110221-44-8 |
| PubChem CID | 443873 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302
- Precautionary Statement(s)
- P261-P280-P305+P351+P338
Synthetic Route by SureRoute
2. ACSIGU291 Molecular Building Block Synthetic Route
2-((2S,6R)-6-(((S)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl)amino)-5-oxo-2-(thiophen-2-yl)-1,4-thiazepan-4-yl)acetic acid
(S)-2-(((2S,6R)-4-(Carboxymethyl)-5-oxo-2-(thiophen-2-yl)-1,4-thiazepan-6-yl)amino)-4-phenylbutanoic acid