Account Cyclo[(3R)-3-(4-hydroxyphenyl)-β-alanyl-(2S,4E,6R,8S)-8-hydroxy-2,4,6-trimethyl-4-nonenoyl-L-alanyl-2-bromo-N-methyl-D-tryptophyl]
- Catalog No. :
- ACGCRP216
- CAS No. :
- 102396-24-7
- Molecular Formula :
- C36H45BrN4O6
- Molecular Weight :
- 709.68
IUPAC Name:(4R,7R,10S,13S,17R,19S)-7-((2-bromo-1H-indol-3-yl)methyl)-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetraone
![Cyclo[(3R)-3-(4-hydroxyphenyl)-β-alanyl-(2S,4E,6R,8S)-8-hydroxy-2,4,6-trimethyl-4-nonenoyl-L-alanyl-2-bromo-N-methyl-D-tryptophyl] structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | Cyclo[(3R)-3-(4-hydroxyphenyl)-β-alanyl-(2S,4E,6R,8S)-8-hydroxy-2,4,6-trimethyl-4-nonenoyl-L-alanyl-2-bromo-N-methyl-D-tryptophyl] |
|---|---|
| IUPAC Name | (4R,7R,10S,13S,17R,19S)-7-((2-bromo-1H-indol-3-yl)methyl)-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetraone |
| MDL No. | MFCD00873735 |
| Molecular Formula | C36H45BrN4O6 |
| Molecular Weight | 709.68 |
| SMILES | C([C@H]1N(C([C@@H](NC([C@H](CC(=C[C@@H](C[C@@H](OC(C[C@]([H])(C2C=CC(=CC=2)O)NC1=O)=O)C)C)C)C)=O)C)=O)C)C1=C(NC2=CC=CC=C12)Br |
| InChI Key | GQWYWHOHRVVHAP-FREWARLNSA-N |
| Synonym | CHEBI:66104 | NSC613009 | NSC-613009 | Jaspamide | Q27134619 | (3S,6R,9R,13S,15R,16E,19S)-3,5,13,15,17,19-Hexamethyl-6-[(2-bromo-1H-indole-3-yl)methyl]-9-(4-hydroxyphenyl)-12-oxa-2,5,8-triazacyclononadeca-16-ene-1,4,7,11-tetraone | Cyclo[(3R)-3-(4-hydroxy |
| CAS No. | 102396-24-7 |
| PubChem CID | 9831636 |
Synthetic Route by SureRoute
2. ACGCRP216 Molecular Building Block Synthetic Route
(4R,7R,10S,13S,19S,E)-7-((1H-Indol-3-yl)methyl)-10-(4-aminobutyl)-4-(4-hydroxyphenyl)-8,13,15,19-tetramethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetraone
Methyl (R)-3-((R)-2-((S)-2-amino-N-methylpropanamido)-3-(2-bromo-1H-indol-3-yl)propanamido)-3-(4-((triisopropylsilyl)oxy)phenyl)propanoate
(3S,6R,9S,12S,15S,19R,20aS)-6-((1H-indol-3-yl)methyl)-9-(4-aminobutyl)-15-benzyl-12-(4-(benzyloxy)benzyl)-1,4,7,10,13,16-hexaoxo-3-phenylicosahydropyrrolo[1,2-a][1,4,7,10,13,16]hexaazacyclooctadecin-19-yl (2-aminoethyl)carbamate acetate