Account 2-(2-(2-(2-(3-(2-((S)-1-((S)-2-((S)-2-((tert-Butoxycarbonyl)(methyl)amino)propanamido)-2-cyclohexylacetyl)pyrrolidin-2-yl)thiazole-4-carbonyl)phenoxy)ethoxy)ethoxy)ethoxy)ethyl 4-methylbenzenesulfonate
- Catalog No. :
- ACENKD245
- CAS No. :
- 2095244-52-1
- Molecular Formula :
- C46H64N4O12S2
- Molecular Weight :
- 929.17
IUPAC Name:2-(2-(2-(2-(3-(2-((S)-1-((S)-2-((S)-2-((tert-butoxycarbonyl)(methyl)amino)propanamido)-2-cyclohexylacetyl)pyrrolidin-2-yl)thiazole-4-carbonyl)phenoxy)ethoxy)ethoxy)ethoxy)ethyl 4-methylbenzenesulfonate
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Product Information
| Product Name | 2-(2-(2-(2-(3-(2-((S)-1-((S)-2-((S)-2-((tert-Butoxycarbonyl)(methyl)amino)propanamido)-2-cyclohexylacetyl)pyrrolidin-2-yl)thiazole-4-carbonyl)phenoxy)ethoxy)ethoxy)ethoxy)ethyl 4-methylbenzenesulfonate |
|---|---|
| IUPAC Name | 2-(2-(2-(2-(3-(2-((S)-1-((S)-2-((S)-2-((tert-butoxycarbonyl)(methyl)amino)propanamido)-2-cyclohexylacetyl)pyrrolidin-2-yl)thiazole-4-carbonyl)phenoxy)ethoxy)ethoxy)ethoxy)ethyl 4-methylbenzenesulfonate |
| Molecular Formula | C46H64N4O12S2 |
| Molecular Weight | 929.17 |
| SMILES | O=S(C1=CC=C(C)C=C1)(OCCOCCOCCOCCOC2=CC=CC(C(C3=CSC([C@H]4N(C([C@H](C5CCCCC5)NC([C@@H](N(C(OC(C)(C)C)=O)C)C)=O)=O)CCC4)=N3)=O)=C2)=O |
| InChI Key | SVNXSNSRSRYQDI-IIYGVWAWSA-N |
| Synonym | cIAP1 Ligand-Linker Conjugates 12;E3 ligase Ligand-Linker Conjugates 38;Benzenesulfonic acid, 4-methyl-, 2-[2-[2-[2-[3-[[2-[(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-[[(1,1-dimethylethoxy)carbonyl]methylamino]-1-oxopropyl]amino]acetyl]-2-pyrrolidinyl]-4-thiazolyl]carbonyl]phenoxy]ethoxy]ethoxy]ethoxy]ethyl ester;tert-butyl N-[(1S)-1-{[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(3-{2-[2-(2-{2-[(4-methylbenzenesulfonyl)oxy]ethoxy}ethoxy)ethoxy]ethoxy}benzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]carbamoyl}ethyl]-N-methylcarbamate |
| CAS No. | 2095244-52-1 |
Synthetic Route by SureRoute
2. ACENKD245 Molecular Building Block Synthetic Route
2-(2-(2-(2-(3-(2-((S)-1-((S)-2-((S)-2-((tert-Butoxycarbonyl)(methyl)amino)propanamido)-2-cyclohexylacetyl)pyrrolidin-2-yl)thiazole-4-carbonyl)phenoxy)ethoxy)ethoxy)ethoxy)acetic acid
tert-Butyl ((S)-1-(((S)-2-((S)-2-(4-(3-(2-(2-(2-aminoethoxy)ethoxy)ethoxy)benzoyl)thiazol-2-yl)pyrrolidin-1-yl)-1-cyclohexyl-2-oxoethyl)amino)-1-oxopropan-2-yl)(methyl)carbamate
tert-Butyl ((S)-1-(((S)-1-cyclohexyl-2-((S)-2-(4-(3-hydroxybenzoyl)thiazol-2-yl)pyrrolidin-1-yl)-2-oxoethyl)(methyl)amino)-1-oxopropan-2-yl)(methyl)carbamate
