Account CRV431
- Catalog No. :
- ACFNSM591
- CAS No. :
- 1383420-08-3
- Molecular Formula :
- C67H122N12O13
- Molecular Weight :
- 1303.78
IUPAC Name:N-((7R,8R)-8-((2S,5S,8R,11S,14S,17S,20S,23R,26S,29S)-5-ethyl-11,17,26,29-tetraisobutyl-14,32-diisopropyl-1,7,8,10,16,20,23,25,28,31-decamethyl-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)-8-hydroxy-7-methyloctyl)acetamide
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Product Information
| Product Name | CRV431 |
|---|---|
| IUPAC Name | N-((7R,8R)-8-((2S,5S,8R,11S,14S,17S,20S,23R,26S,29S)-5-ethyl-11,17,26,29-tetraisobutyl-14,32-diisopropyl-1,7,8,10,16,20,23,25,28,31-decamethyl-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)-8-hydroxy-7-methyloctyl)acetamide |
| Molecular Formula | C67H122N12O13 |
| Molecular Weight | 1303.78 |
| SMILES | CC(NCCCCCC[C@@H](C)[C@H]([C@@H](C(N[C@@H](CC)C(N(C)[C@H](C)C(N(C)[C@@H](CC(C)C)C(N[C@@H](C(C)C)C(N(C)[C@@H](CC(C)C)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)C1C(C)C)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)N(C)C1=O)O)=O |
| InChI Key | KBARHGHBFILILC-RCHIZPMFSA-N |
| Synonym | CPI-431-32 | CYCLOSPORIN A, 6-((2S,3R,4R)-10-(ACETYLAMINO)-3-HYDROXY-4-METHYL-2-(METHYLAMINO)DECANOIC ACID)-8-(N-METHYL-D-ALANINE)- | 6-((2S,3R,4R)-10-ACETAMIDO-3-HYDROXY-4-METHYL-2-(METHYLAMINO)DECANOIC ACID)-8-(N-METHYL-DALANINE)CYCLOSPORIN A; 1,11-ANHY |
| CAS No. | 1383420-08-3 |
| PubChem CID | 134812041 |
Synthetic Route by SureRoute
2. ACFNSM591 Molecular Building Block Synthetic Route
(3R,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-Ethyl-33-((1R,2R,E)-1-hydroxy-2-methylhex-4-en-1-yl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone
(3S,6S,9S,12R,15S,18S,21S,24S,30S)-33-((1R,2R)-1-hydroxy-2-methylhex-4-en-1-yl)-6,9,18,24-tetraisobutyl-3,21,30-triisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone
30-ethyl-33-((1R,2R,E)-1-hydroxy-2-methylhex-4-en-1-yl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone