Account PD-1-IN-18
- Catalog No. :
- ACWSQK499
- CAS No. :
- 1673534-97-8
- Molecular Formula :
- C11H17N5O8
- Molecular Weight :
- 347.28
IUPAC Name:(S)-3-(3-((R)-1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl)-3-(3-((S)-1-carboxy-2-hydroxyethyl)ureido)propanoic acid
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Product Information
| Product Name | PD-1-IN-18 |
|---|---|
| IUPAC Name | (S)-3-(3-((R)-1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl)-3-(3-((S)-1-carboxy-2-hydroxyethyl)ureido)propanoic acid |
| Molecular Formula | C11H17N5O8 |
| Molecular Weight | 347.28 |
| SMILES | N[C@@H](CO)C1=NOC([C@@H](NC(N[C@H](C(O)=O)CO)=O)CC(O)=O)=N1 |
| InChI Key | QCBFMJFKMLXBIZ-ZLUOBGJFSA-N |
| Synonym | PD1-IN-2;PD-1-IN-18;1,2,4-Oxadiazole-5-propanoic acid, 3-[(1R)-1-amino-2-hydroxyethyl]-β-[[[[(1S)-1-carboxy-2-hydroxyethyl]amino]carbonyl]amino]-, (βS)-;PD 1 IN 18,PD1IN18 |
| CAS No. | 1673534-97-8 |
Synthetic Route by SureRoute
2. ACWSQK499 Molecular Building Block Synthetic Route
(2S,3R)-2-(3-((S)-3-Amino-1-(3-((R)-1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl)-3-oxopropyl)ureido)-3-hydroxybutanoic acid
tert-Butyl N-(((S)-1-(3-((R)-2-(tert-butoxy)-1-((tert-butoxycarbonyl)amino)ethyl)-1,2,4-oxadiazol-5-yl)-3-oxo-3-(tritylamino)propyl)carbamoyl)-O-(tert-butyl)-L-threoninate