Account 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
- Catalog No. :
- ACFBSU797
- CAS No. :
- 2851058-71-2
- Molecular Formula :
- C98H149FN12O36
- Molecular Weight :
- 2090.32
IUPAC Name: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-((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 structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 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 |
|---|---|
| IUPAC Name | 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 |
| MDL No. | MFCD35147184 |
| Molecular Formula | C98H149FN12O36 |
| Molecular Weight | 2090.32 |
| SMILES | O=C(OCC1=CC=C(NC([C@H](CCCNC(N)=O)NC([C@H](C(C)C)NC([C@@H](NC(CCCCCN2C(C=CC2=O)=O)=O)CCCCNC(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN(C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)=O)=O)=O)=O)C=C1)N[C@H]3CCC4=C5C3=C(CN6C(C(COC([C@@]7(CC)O)=O)=C7C=C68)=O)C8=NC5=CC(F)=C4C |
| InChI Key | OTUJBZVAEYMCPZ-XMIVBUCPSA-N |
| Synonym | 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;L-Ornithinamide, N6-[39-[bis(1-deoxy-D-glucitol-1-yl)amino]-1-oxo-4,7,10,13,16,19,22,25,28,31,34,37-dodecaoxanonatriacont-1-yl]-N2-[6-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxohexyl]-L-lysyl-L-valyl-N5-(aminocarbonyl)-N-[4-[[[[[(1S,9S)-9-ethyl-5-fluoro-2,3,9,10,13,15-hexahydro-9-hydroxy-4-methyl-10,13-dioxo-1H,12H-benzo[de]pyrano[3′,4′:6,7]indolizino[1,2-b]quinolin-1-yl]amino]carbonyl]oxy]methyl]phenyl]-;L-Ornithinamide, N6-[39-[bis(1-deoxy-D-glucitol-1-yl)amino]-1-oxo-4,7,10,13,16,19,22,25,28,31,34,37-dodecaoxanonatriacont-1-yl]-N2-[6-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxohexyl]-L-lysyl-L-valyl-N5-(aminocarbonyl)-N-[4-[[[[[(1S,9S)-9-ethyl-5-fluoro-2,3,9,10,13,15-hexahydro-9-hydroxy-4-methyl-1...;PB038;L-Ornithinamide,N6-[39-[bis(1-deoxy-D-glucitol-1-yl)amino]-1-oxo-4,7,10,13,16,19,22,25,28,31,34,37-dodecaoxanonatriacont-1-yl]-N2-[6-(2,5-dihydro-2,5-dChemicalbookioxo-1H-pyrrol-1-yl)-1-oxohexyl]-L-lysyl-L-valyl-N5-(aminocarbonyl)-N-[4-[[[[[(1S,9S)-9-ethyl-5-fluoro-2,3,9,10,13,15-hexahydro-9-hydroxy-4-methyl-1... |
| CAS No. | 2851058-71-2 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H315-H319
- Precautionary Statement(s)
- P264-P270-P280-P301+P312+P330-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-P501
Synthetic Route by SureRoute
2. ACFBSU797 Molecular Building Block Synthetic Route
PB089
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