Account PB089
- Catalog No. :
- ACTJBG953
- CAS No. :
- 2892336-54-6
- Molecular Formula :
- C90H133FN12O32
- Molecular Weight :
- 1914.10
IUPAC Name:4-((2S,5S,8S,43S,44R,45R,46R)-8-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido)-43,44,45,46,47-pentahydroxy-5-isopropyl-4,7,14-trioxo-41-((2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl)-2-(3-ureidopropyl)-17,20,23,26,29,32,35,38-octaoxa-3,6,13,41-tetraazaheptatetracontanamido)benzyl ((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)carbamate
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Product Information
| Product Name | PB089 |
|---|---|
| IUPAC Name | 4-((2S,5S,8S,43S,44R,45R,46R)-8-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido)-43,44,45,46,47-pentahydroxy-5-isopropyl-4,7,14-trioxo-41-((2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl)-2-(3-ureidopropyl)-17,20,23,26,29,32,35,38-octaoxa-3,6,13,41-tetraazaheptatetracontanamido)benzyl ((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)carbamate |
| Molecular Formula | C90H133FN12O32 |
| Molecular Weight | 1914.10 |
| SMILES | N(C(OCC1=CC=C(NC([C@@H](NC([C@@H](NC([C@@H](NC(CCCCCN2C(=O)C=CC2=O)=O)CCCCNC(CCOCCOCCOCCOCCOCCOCCOCCOCCN(C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)=O)=O)C(C)C)=O)CCCNC(N)=O)=O)C=C1)=O)[C@@H]3C4=C5C(C=6N(C5)C(=O)C7=C(C6)[C@](CC)(O)C(=O)OC7)=NC=8C4=C(CC3)C(C)=C(F)C8 |
| InChI Key | MDHOTIQWJWYSSB-LZQPNPEKSA-N |
| Synonym | PB089 |
| CAS No. | 2892336-54-6 |
Synthetic Route by SureRoute
2. ACTJBG953 Molecular Building Block Synthetic Route
4-((2S,5S,8S,55S,56R,57R,58R)-8-(6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido)-55,56,57,58,59-pentahydroxy-5-isopropyl-4,7,14-trioxo-53-((2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl)-2-(3-ureidopropyl)-17,20,23,26,29,32,35,38,41,44,47,50-dodecaoxa-3,6,13,53-tetraazanonapentacontanamido)benzyl ((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)carbamate
4-((30S,33S,36S)-30-(2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetamido)-33-isopropyl-26,31,34-trioxo-36-(3-ureidopropyl)-2,5,8,11,14,17,20,23-octaoxa-27,32,35-triazaheptatriacontan-37-amido)benzyl ((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)carbamate
4-((S)-2-((S)-2-(6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl ((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)carbamate