Account FXIa-IN-6
- Catalog No. :
- ACCCRI571
- CAS No. :
- 1551459-37-0
- Molecular Formula :
- C31H29ClF2N4O4
- Molecular Weight :
- 595.05
IUPAC Name:methyl ((5R,9S)-9-(4-(3-chloro-2,6-difluorophenyl)-6-oxo-3,6-dihydropyridin-1(2H)-yl)-5-methyl-4-oxo-3-aza-1(4,2)-pyridina-2(1,2)-benzenacyclononaphane-24-yl)carbamate
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Product Information
| Product Name | FXIa-IN-6 |
|---|---|
| IUPAC Name | methyl ((5R,9S)-9-(4-(3-chloro-2,6-difluorophenyl)-6-oxo-3,6-dihydropyridin-1(2H)-yl)-5-methyl-4-oxo-3-aza-1(4,2)-pyridina-2(1,2)-benzenacyclononaphane-24-yl)carbamate |
| Molecular Formula | C31H29ClF2N4O4 |
| Molecular Weight | 595.05 |
| SMILES | C[C@@H]1CCC[C@@H](C2=NC=CC(C3=C(C=C(C=C3)NC(OC)=O)NC1=O)=C2)N4CCC(C5=C(C=CC(Cl)=C5F)F)=CC4=O |
| InChI Key | AXXYATYQRMPQSN-QUGAMOGWSA-N |
| Synonym | Carbamic acid, N-[(3R,7S)-7-[4-(3-chloro-2,6-difluorophenyl)-5,6-dihydro-2-oxo-1(2H)-pyridinyl]-2,3,4,5,6,7-hexahydro-3-methyl-2-oxo-1H-8,12-metheno-1,9-benzodiazacyclotetradecin-15-yl]-, methyl ester;FXIa-6f |
| CAS No. | 1551459-37-0 |
Synthetic Route by SureRoute
2. ACCCRI571 Molecular Building Block Synthetic Route
4-((2S)-2-((2S)-2-(6-(3-((3-(((3R,4R,5S,6R)-2-((26-((S)-10-benzyl-1-(((1S,9S)-9-ethyl-5-fluoro-9-hydroxy-4-methyl-10,13-dioxo-2,3,9,10,13,15-hexahydro-1H,12H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinolin-1-yl)amino)-1,6,9,12,15-pentaoxo-3-oxa-5,8,11,14-tetraazahexadecan-16-yl)-27-oxo-2,5,8,11,14,17,20,23-octaoxa-29-thia-26-azadotriacontan-32-yl)oxy)-3-(4-(24-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-3,19-dioxo-6,9,12,15-tetraoxa-2,18-diazatetracosyl)-1H-1,2,3-triazol-1-yl)-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl)oxy)propyl)thio)-2,5-dioxopyrrolidin-1-yl)hexanamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl ((S)-1-(((S)-1-(((3R,4S,5S)-1-((S)-2-((1R,2R)-3-(((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl)(methyl)amino)-3-methyl-1-oxobutan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)(methyl)carbamate
ACDNEY033
(2S,3S,4S,5R,6S)-6-(2-(2-(2-((3-(((2S,3R,4R,5S,6R)-2-(3-((1-(3-((2-((5-((5S,8S,11S,12R)-11-((S)-sec-butyl)-12-(2-((S)-2-((1R,2R)-3-(((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-2-oxoethyl)-5,8-diisopropyl-4,10-dimethyl-3,6,9-trioxo-2,13-dioxa-4,7,10-triazatetradecyl)-2-(((2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)phenyl)amino)-2-oxoethyl)amino)-3-oxopropyl)-2,5-dioxopyrrolidin-3-yl)thio)propoxy)-3-(4-(24-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-3,19-dioxo-6,9,12,15-tetraoxa-2,18-diazatetracosyl)-1H-1,2,3-triazol-1-yl)-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl)oxy)propyl)thio)acetamido)acetamido)-4-(((((1S,9S)-9-ethyl-5-fluoro-9-hydroxy-4-methyl-10,13-dioxo-2,3,9,10,13,15-hexahydro-1H,12H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinolin-1-yl)carbamoyl)oxy)methyl)phenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid