Account (4S,7S,10aS)-4-((S)-2-Mercapto-3-phenylpropanamido)-5-oxooctahydro-7H-pyrido[2,1-b][1,3]thiazepine-7-carboxylic acid
- Catalog No. :
- ACBAJE891
- CAS No. :
- 167305-00-2
- Molecular Formula :
- C19H24N2O4S2
- Molecular Weight :
- 408.55
IUPAC Name:(4S,7S,10aS)-4-((S)-2-mercapto-3-phenylpropanamido)-5-oxooctahydro-7H-pyrido[2,1-b][1,3]thiazepine-7-carboxylic acid
![(4S,7S,10aS)-4-((S)-2-Mercapto-3-phenylpropanamido)-5-oxooctahydro-7H-pyrido[2,1-b][1,3]thiazepine-7-carboxylic acid structure diagram](/images/productimg/no-pic.svg)
Pack SizePurityList PriceYour PriceGlobal StockUS StockQuantity
5mg98%$125.00Login to see priceInquiryInquiry
10mg98%$220.00Login to see priceInquiryInquiry
25mg98%$466.00Login to see priceInquiryInquiry
50mg98%$839.00Login to see priceInquiryInquiry
Products of AiFChem are all designed for scientific research only. Under no circumstances do we provide products or services for animal or personal utilization.
0 Reviews:View Reviews
Product Information
| Product Name | (4S,7S,10aS)-4-((S)-2-Mercapto-3-phenylpropanamido)-5-oxooctahydro-7H-pyrido[2,1-b][1,3]thiazepine-7-carboxylic acid |
|---|---|
| IUPAC Name | (4S,7S,10aS)-4-((S)-2-mercapto-3-phenylpropanamido)-5-oxooctahydro-7H-pyrido[2,1-b][1,3]thiazepine-7-carboxylic acid |
| Molecular Formula | C19H24N2O4S2 |
| Molecular Weight | 408.55 |
| SMILES | O=C([C@@H]1CCC[C@](N21)([H])SCC[C@H](NC([C@@H](S)CC3=CC=CC=C3)=O)C2=O)O |
| InChI Key | LVRLSYPNFFBYCZ-VGWMRTNUSA-N |
| Synonym | MS-27025 | Omapatrilat [USAN] | (4S,6S,9aS)-6-((S)-2-Mercapto-3-phenyl-propionylamino)-5-oxo-octahydro-9-thia-4a-aza-benzocycloheptene-4-carboxylic acid | BMS-186716 | DTXSID80168273 | OMAPATRILAT [INN] | UNII-36NLI90E7T | OMAPATRILAT [MI] | CS-6369 | AKO |
| CAS No. | 167305-00-2 |
| PubChem CID | 656629 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P305+P351+P338
Synthetic Route by SureRoute
2. ACBAJE891 Molecular Building Block Synthetic Route
(4S,7S,10aS)-4-Amino-5-oxooctahydro-2H-pyrido[2,1-b][1,3]thiazepine-7-carboxylic acid
Methyl (4S,7S)-4-amino-5-oxooctahydro-7H-pyrido[2,1-b][1,3]thiazepine-7-carboxylate
6-Amino-5-oxohexahydropyrrolo[2,1-b]thiazole-3-carboxylic acid