Account Methyl ((S)-1-(((2S,3S)-4-(2-((S)-2-amino-3,3-dimethylbutanoyl)-1-(4-(pyridin-2-yl)benzyl)hydrazineyl)-3-hydroxy-1-phenylbutan-2-yl)amino)-3,3-dimethyl-1-oxobutan-2-yl)carbamate
- Catalog No. :
- ACLESA147
- CAS No. :
- 1028634-76-5
- Molecular Formula :
- C36H50N6O5
- Molecular Weight :
- 646.83
IUPAC Name:methyl ((S)-1-(((2S,3S)-4-(2-((S)-2-amino-3,3-dimethylbutanoyl)-1-(4-(pyridin-2-yl)benzyl)hydrazineyl)-3-hydroxy-1-phenylbutan-2-yl)amino)-3,3-dimethyl-1-oxobutan-2-yl)carbamate
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Product Information
| Product Name | Methyl ((S)-1-(((2S,3S)-4-(2-((S)-2-amino-3,3-dimethylbutanoyl)-1-(4-(pyridin-2-yl)benzyl)hydrazineyl)-3-hydroxy-1-phenylbutan-2-yl)amino)-3,3-dimethyl-1-oxobutan-2-yl)carbamate |
|---|---|
| IUPAC Name | methyl ((S)-1-(((2S,3S)-4-(2-((S)-2-amino-3,3-dimethylbutanoyl)-1-(4-(pyridin-2-yl)benzyl)hydrazineyl)-3-hydroxy-1-phenylbutan-2-yl)amino)-3,3-dimethyl-1-oxobutan-2-yl)carbamate |
| Molecular Formula | C36H50N6O5 |
| Molecular Weight | 646.83 |
| SMILES | C(N(C[C@@H]([C@H](CC1=CC=CC=C1)NC([C@@H](NC(OC)=O)[C@](C)(C)C)=O)O)NC([C@H](C(C)(C)C)N)=O)C2=CC=C(C=C2)C3=CC=CC=N3 |
| InChI Key | JTDOEPWAZDTPRH-SYQUUIDJSA-N |
| Synonym | Atazanavir Impurity 26;L-Valine, 3-methyl-, 2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-[(methoxycarbonyl)amino]-3,3-dimethyl-1-oxobutyl]amino]-4-phenylbutyl]-2-[[4-(2-pyridinyl)phenyl]methyl]hydrazide;Atazanavir amine analog |
| CAS No. | 1028634-76-5 |
Synthetic Route by SureRoute
2. ACLESA147 Molecular Building Block Synthetic Route
![1,14-Dimethyl (3S,8S,9S,12S)-3,12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-pyridinyl)phenyl]methyl]-2,5,6,10,13-pentaazatetradecanedioate structure diagram](https://xchemchain-prod-1253699568.cos.ap-guangzhou.myqcloud.com/production/attachments/2026/07/22/jyhv/198904-31-3.png?X-Amz-Algorithm=AWS4-HMAC-SHA256&X-Amz-Credential=AKIDT0SoARehYSEnT2RxQiomY7TcckkZDlIx%2F20260801%2Fap-guangzhou%2Fs3%2Faws4_request&X-Amz-Date=20260801T083358Z&X-Amz-Expires=86400&X-Amz-SignedHeaders=host&response-content-disposition=attachment%3B%20filename%3D%22198904-31-3.png%22&x-id=GetObject&X-Amz-Signature=3b8900e34257c83df6da42d7468b191389003b1f79d5445dadb05a4e2bb21971)
1,14-Dimethyl (3S,8S,9S,12S)-3,12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-pyridinyl)phenyl]methyl]-2,5,6,10,13-pentaazatetradecanedioate
Methyl ((5R,10S,11S,14R)-11-benzyl-5-(tert-butyl)-10-hydroxy-15,15-dimethyl-3,6,13-trioxo-8-(4-(pyridin-2-yl)benzyl)-2-oxa-4,7,8,12-tetraazahexadecan-14-yl)carbamate
methyl ((5S,8R,9S,14S)-8-benzyl-5-(tert-butyl)-9-hydroxy-15,15-dimethyl-3,6,13-trioxo-11-(4-(pyridin-2-yl)benzyl)-2-oxa-4,7,11,12-tetraazahexadecan-14-yl)carbamate
