Account Clezutoclax
- Catalog No. :
- ACCCJK230
- CAS No. :
- 1949843-71-3
- Molecular Formula :
- C83H102N12O24S2
- Molecular Weight :
- 1715.92
IUPAC Name:6-(8-(benzo[d]thiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)-3-(1-((3-(2-((((2-(2-((2S,3R,4R,5S,6S)-6-carboxy-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)ethyl)-4-((S)-2-((S)-2-(2-((3S,5S)-3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-2-oxo-5-((2-sulfoethoxy)methyl)pyrrolidin-1-yl)acetamido)-3-methylbutanamido)propanamido)benzyl)oxy)carbonyl)((S)-3,4-dihydroxybutyl)amino)ethoxy)-5,7-dimethyladamantan-1-yl)methyl)-5-methyl-1H-pyrazol-4-yl)picolinic acid
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Product Information
| Product Name | Clezutoclax |
|---|---|
| IUPAC Name | 6-(8-(benzo[d]thiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)-3-(1-((3-(2-((((2-(2-((2S,3R,4R,5S,6S)-6-carboxy-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)ethyl)-4-((S)-2-((S)-2-(2-((3S,5S)-3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-2-oxo-5-((2-sulfoethoxy)methyl)pyrrolidin-1-yl)acetamido)-3-methylbutanamido)propanamido)benzyl)oxy)carbonyl)((S)-3,4-dihydroxybutyl)amino)ethoxy)-5,7-dimethyladamantan-1-yl)methyl)-5-methyl-1H-pyrazol-4-yl)picolinic acid |
| Molecular Formula | C83H102N12O24S2 |
| Molecular Weight | 1715.92 |
| SMILES | O=C(O)C1=NC(N2CC3=C(C=CC=C3C(NC4=NC5=CC=CC=C5S4)=O)CC2)=CC=C1C6=C(C)N(CC78CC9(OCCN(C(OCC%10=CC=C(NC([C@@H](NC([C@@H](NC(CN%11C([C@@H](N%12C(C=CC%12=O)=O)C[C@H]%11COCCS(=O)(O)=O)=O)=O)C(C)C)=O)C)=O)C=C%10CC[C@H]%13[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O%13)=O)CC[C@H](O)CO)CC(C8)(C)CC(C9)(C)C7)N=C6 |
| InChI Key | MWBJKBCPVKUTBZ-UTMRQAAQSA-N |
| Synonym | Clezutoclax;L-glycero-L-gulo-Octonic acid, 2,6-anhydro-8-[2-[[[[[2-[[3-[[4-[6-[8-[(2-benzothiazolylamino)carbonyl]-3,4-dihydro-2(1H)-isoquinolinyl]-2-carboxy-3-pyridinyl]-5-methyl-1H-pyrazol-1-yl]methyl]-5,7-dimethyltricyclo[3.3.1.13,7]dec-1-yl]oxy]ethyl][(3S)-3,4-dihydroxybutyl]amino]carbonyl]oxy]methyl]-5-[[N-[2-[(3S,5S)-3-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-2-oxo-5-[(2-sulfoethoxy)methyl]-1-pyrrolidinyl]acetyl]-L-valyl-L-alanyl]amino]phenyl]-7,8-dideoxy- |
| CAS No. | 1949843-71-3 |
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