Account Alisporivir intermediate-1
- Catalog No. :
- ACSMFB038
- CAS No. :
- 882506-05-0
- Molecular Formula :
- C74H132N12O17
- Molecular Weight :
- 1461.94
IUPAC Name:methyl N-((S)-2-((2S,5S,8S,11S,14R)-2-((1R,2R,E)-1-acetoxy-2-methylhex-4-en-1-yl)-14-((S)-2-((S)-2-((S)-2-((S)-2-((R)-2-((tert-butoxycarbonyl)(methyl)amino)-N-ethylpropanamido)-3-methylbutanamido)-N,3-dimethylbutanamido)-4-methylpentanamido)propanamido)-8,11-diisobutyl-5-isopropyl-3,6,9,12-tetramethyl-4,7,10,13-tetraoxo-3,6,9,12-tetraazapentadecanamido)butanoyl)-N-methylglycinate
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Product Information
| Product Name | Alisporivir intermediate-1 |
|---|---|
| IUPAC Name | methyl N-((S)-2-((2S,5S,8S,11S,14R)-2-((1R,2R,E)-1-acetoxy-2-methylhex-4-en-1-yl)-14-((S)-2-((S)-2-((S)-2-((S)-2-((R)-2-((tert-butoxycarbonyl)(methyl)amino)-N-ethylpropanamido)-3-methylbutanamido)-N,3-dimethylbutanamido)-4-methylpentanamido)propanamido)-8,11-diisobutyl-5-isopropyl-3,6,9,12-tetramethyl-4,7,10,13-tetraoxo-3,6,9,12-tetraazapentadecanamido)butanoyl)-N-methylglycinate |
| MDL No. | MFCD31619307 |
| Molecular Formula | C74H132N12O17 |
| Molecular Weight | 1461.94 |
| SMILES | O=C(N[C@@H](C)C(N[C@H](C)C(N(C)[C@@H](CC(C)C)C(N(C)[C@@H](CC(C)C)C(N(C)[C@@H](C(C)C)C(N(C)[C@]([C@H](OC(C)=O)[C@H](C)C/C=C/C)([H])C(N[C@@H](CC)C(N(C)CC(OC)=O)=O)=O)=O)=O)=O)=O)=O)[C@H](CC(C)C)N(C)C([C@H](C(C)C)NC([C@H](C(C)C)N(C([C@@H](C)N(C(OC(C)(C)C)=O)C)=O)CC)=O)=O |
| InChI Key | VJCXXMOVYUECHI-FNVMUSLKSA-N |
| Synonym | Alisporivir -1;Alisporivir intermediate-1;Glycine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-D-alanyl-N-ethyl-L-valyl-L-valyl-N-methyl-L-leucyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-(2S,3R,4R,6E)-3-(acetyloxy)-4-methyl-2-(methylamino)-6-octenoyl-(2S)-2-aminobutanoyl-N-methyl-, methyl ester |
| CAS No. | 882506-05-0 |
Synthetic Route by SureRoute
2. ACSMFB038 Molecular Building Block Synthetic Route
Cyclosporin A-Derivative 2
methyl N-((S)-2-((2S,5S,8S,11S,14R)-2-((1R,2R,E)-1-acetoxy-2-methylhex-4-en-1-yl)-14-((S)-2-((S)-2-((S)-N,3-dimethyl-2-((S)-4-methyl-2-(methylamino)pentanamido)butanamido)-4-methylpentanamido)propanamido)-8,11-diisobutyl-5-isopropyl-3,6,9,12-tetramethyl-4,7,10,13-tetraoxo-3,6,9,12-tetraazapentadecanamido)butanoyl)-N-methylglycinate
(1R,2R)-1-((2S,5S,11S,14S,17S,20S,23R,26S,29S,32S)-5-ethyl-11,17,26,29-tetraisobutyl-14,32-diisopropyl-1,7,10,16,20,23,25,28,31-nonamethyl-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2-yl)-2-methyl-4-oxobutyl acetate