Account Cyclothialidine
- Catalog No. :
- ACNSDN945
- CAS No. :
- 147214-63-9
- Molecular Formula :
- C26H35N5O12S
- Molecular Weight :
- 641.66
IUPAC Name:((4R,7S)-7-((2S,3R)-1-(L-seryl)-3-hydroxypyrrolidine-2-carboxamido)-12,14-dihydroxy-11-methyl-6,10-dioxo-1,3,4,5,6,7,8,10-octahydrobenzo[j][1]oxa[8]thia[5]azacyclododecine-4-carbonyl)-L-alanine
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Product Information
| Product Name | Cyclothialidine |
|---|---|
| IUPAC Name | ((4R,7S)-7-((2S,3R)-1-(L-seryl)-3-hydroxypyrrolidine-2-carboxamido)-12,14-dihydroxy-11-methyl-6,10-dioxo-1,3,4,5,6,7,8,10-octahydrobenzo[j][1]oxa[8]thia[5]azacyclododecine-4-carbonyl)-L-alanine |
| Molecular Formula | C26H35N5O12S |
| Molecular Weight | 641.66 |
| SMILES | C(N[C@@H]1C(=O)N[C@H](C(N[C@H](C(O)=O)C)=O)CSCC=2C(C(=O)OC1)=C(C)C(O)=CC2O)(=O)[C@H]3N(C([C@H](CO)N)=O)CC[C@H]3O |
| InChI Key | HMHQWJDFNVJCHA-BTZKOOKSSA-N |
| Synonym | DTXSID00933066 | C12057 | (2S)-2-[[(5S,8R)-5-[[(2S,3R)-1-(2-amino-3-hydroxypropanoyl)-3-hydroxypyrrolidine-2-carbonyl]amino]-13,15-dihydroxy-16-methyl-2,6-dioxo3-oxa-10-thia-7-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-8-carbonyl]amino]propanoic acid | |
| CAS No. | 147214-63-9 |
| PubChem CID | 443601 |
Synthetic Route by SureRoute
2. ACNSDN945 Molecular Building Block Synthetic Route
Keap1-Nrf2-IN-5
3BP-3940
2,2',2''-(10-(2-((2-((((12S,32S,5R,13R,16S,19S,22S)-19-(3-Amino-3-oxopropyl)-16-benzyl-13-carboxy-5-hexanamido-22-((R)-1-hydroxyethyl)-2,4,15,18,21,24-hexaoxo-7,11-dithia-14,17,20,23-tetraaza-1(1,2),3(2,1)-dipyrrolidina-9(1,3)-benzenacyclotetracosaphane-95-yl)methyl)thio)ethyl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid