Account 2,2',2''-(10-(2-((4-((5R,8S,11S,14S,17S,20S,23R)-23-((S)-2-((2S,3R)-2-((S)-2-acetamido-3-(1H-indol-3-yl)propanamido)-3-hydroxy-N-methylbutanamido)-4,4-dimethylpentanamido)-17-(2-amino-2-oxoethyl)-5-(((S)-1-((S)-2-carbamoylpyrrolidin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)carbamoyl)-8-(carboxymethyl)-20-((1-(carboxymethyl)piperidin-4-yl)methyl)-14-(naphthalen-2-ylmethyl)-7,10,13,16,19,22-hexaoxo-1,3-dithia-6,9,12,15,18,21-hexaazacyclotetracosan-11-yl)butyl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid
- Catalog No. :
- ACYFQX023
- CAS No. :
- 3066864-32-9
- Molecular Formula :
- C101H140N22O26S2
- Molecular Weight :
- 2142.49
IUPAC Name:2,2',2''-(10-(2-((4-((5R,8S,11S,14S,17S,20S,23R)-23-((S)-2-((2S,3R)-2-((S)-2-acetamido-3-(1H-indol-3-yl)propanamido)-3-hydroxy-N-methylbutanamido)-4,4-dimethylpentanamido)-17-(2-amino-2-oxoethyl)-5-(((S)-1-((S)-2-carbamoylpyrrolidin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)carbamoyl)-8-(carboxymethyl)-20-((1-(carboxymethyl)piperidin-4-yl)methyl)-14-(naphthalen-2-ylmethyl)-7,10,13,16,19,22-hexaoxo-1,3-dithia-6,9,12,15,18,21-hexaazacyclotetracosan-11-yl)butyl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid
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Product Information
| Product Name | 2,2',2''-(10-(2-((4-((5R,8S,11S,14S,17S,20S,23R)-23-((S)-2-((2S,3R)-2-((S)-2-acetamido-3-(1H-indol-3-yl)propanamido)-3-hydroxy-N-methylbutanamido)-4,4-dimethylpentanamido)-17-(2-amino-2-oxoethyl)-5-(((S)-1-((S)-2-carbamoylpyrrolidin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)carbamoyl)-8-(carboxymethyl)-20-((1-(carboxymethyl)piperidin-4-yl)methyl)-14-(naphthalen-2-ylmethyl)-7,10,13,16,19,22-hexaoxo-1,3-dithia-6,9,12,15,18,21-hexaazacyclotetracosan-11-yl)butyl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid |
|---|---|
| IUPAC Name | 2,2',2''-(10-(2-((4-((5R,8S,11S,14S,17S,20S,23R)-23-((S)-2-((2S,3R)-2-((S)-2-acetamido-3-(1H-indol-3-yl)propanamido)-3-hydroxy-N-methylbutanamido)-4,4-dimethylpentanamido)-17-(2-amino-2-oxoethyl)-5-(((S)-1-((S)-2-carbamoylpyrrolidin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)carbamoyl)-8-(carboxymethyl)-20-((1-(carboxymethyl)piperidin-4-yl)methyl)-14-(naphthalen-2-ylmethyl)-7,10,13,16,19,22-hexaoxo-1,3-dithia-6,9,12,15,18,21-hexaazacyclotetracosan-11-yl)butyl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid |
| Molecular Formula | C101H140N22O26S2 |
| Molecular Weight | 2142.49 |
| SMILES | O=C(N1[C@@H](CCC1)C(N)=O)[C@@H](NC([C@H]2NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CSCSC2)NC([C@H](CC(C)(C)C)N(C)C([C@H]([C@H](O)C)NC([C@@H](NC(C)=O)CC3=CNC4=CC=CC=C34)=O)=O)=O)=O)CC5CCN(CC5)CC(O)=O)=O)CC(N)=O)=O)CC6=CC7=C(C=CC=C7)C=C6)=O)CCCCNC(CN8CCN(CCN(CCN(CC8)CC(O)=O)CC(O)=O)CC(O)=O)=O)=O)CC(O)=O)=O)=O)CC9=CNC%10=CC=CC=C9%10 |
| InChI Key | YBIHAYCVELUNPG-IZEHOFEZSA-N |
| CAS No. | 3066864-32-9 |
Synthetic Route by SureRoute
2. ACYFQX023 Molecular Building Block Synthetic Route
2-((5R,8S,11S,14S,17S,20S,23R)-23-((S)-2-((2S,3R)-2-((S)-2-acetamido-3-(1H-indol-3-yl)propanamido)-3-hydroxy-N-methylbutanamido)-4,4-dimethylpentanamido)-17-(2-amino-2-oxoethyl)-11-(4-aminobutyl)-5-(((S)-1-((S)-2-carbamoylpyrrolidin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)carbamoyl)-20-((1-(carboxymethyl)piperidin-4-yl)methyl)-14-(naphthalen-2-ylmethyl)-7,10,13,16,19,22-hexaoxo-1,3-dithia-6,9,12,15,18,21-hexaazacyclotetracosan-8-yl)acetic acid
Adamtsostatin 4
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