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)acetic acid
- Catalog No. :
- ACTNTQ438
- CAS No. :
- 2222354-20-1
- Molecular Formula :
- C39H56N4O11S
- Molecular Weight :
- 788.96
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)acetic acid
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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)acetic acid |
|---|---|
| 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)acetic acid |
| Molecular Formula | C39H56N4O11S |
| Molecular Weight | 788.96 |
| SMILES | O=C(O)COCCOCCOCCOC1=CC=CC(C(C2=CSC([C@H]3N(C([C@H](C4CCCCC4)NC([C@@H](N(C(OC(C)(C)C)=O)C)C)=O)=O)CCC3)=N2)=O)=C1 |
| InChI Key | WAPVQKADLXUREQ-CTVJOPNHSA-N |
| Synonym | Acetic acid, 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]-;cIAP1 Ligand-Linker Conjugates 3;E3 ligase Ligand-Linker Conjugates 40;2-(2-{2-[2-(3-{2-[(2S)-1-[(2S)-2-[(2S)-2-{[(tert-butoxy)carbonyl](methyl)amino}propanamido]-2-cyclohexylacetyl]pyrrolidin-2-yl]-1,3-thiazole-4-carbonyl}phenoxy)ethoxy]ethoxy}ethoxy)acetic acid |
| CAS No. | 2222354-20-1 |
Synthetic Route by SureRoute
2. ACTNTQ438 Molecular Building Block Synthetic Route
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)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