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
- Catalog No. :
- ACLFVG476
- CAS No. :
- 111902-57-9
- Molecular Formula :
- C23H28N2O5S2
- Molecular Weight :
- 476.62
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
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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 |
|---|---|
| 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 |
| MDL No. | MFCD00865951 |
| Molecular Formula | C23H28N2O5S2 |
| Molecular Weight | 476.62 |
| 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 |
| InChI Key | FIQOFIRCTOWDOW-BJLQDIEVSA-N |
| Synonym | Temocapril | 111902-57-9 | 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 | 2-[(2S,6R)-6-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid | 18I |
| CAS No. | 111902-57-9 |
| PubChem CID | 443874 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319
- Precautionary Statement(s)
- P264-P270-P280-P301+P312+P330-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-P501
Synthetic Route by SureRoute
2. ACLFVG476 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 hydrochloride
(S)-2-(((2S,6R)-4-(Carboxymethyl)-5-oxo-2-(thiophen-2-yl)-1,4-thiazepan-6-yl)amino)-4-phenylbutanoic acid