Account VCP-Eribulin
- Catalog No. :
- ACFOHH559
- CAS No. :
- 2130869-17-7
- Molecular Formula :
- C59H86N6O16
- Molecular Weight :
- 1135.36
IUPAC Name:4-((S)-2-((S)-2-amino-3-methylbutanamido)-5-ureidopentanamido)benzyl ((S)-2-hydroxy-3-((2S,5S,8S,11S,13R,15R,16aS,18R,19R,19aS,23R,24aS,25S,26aR,27S,28R,29aR,29bS)-19-methoxy-13-methyl-7,14-dimethylene-21-oxooctacosahydro-25H-2,27:5,8:11,15-triepoxy-23,25-ethano-2,28-methanofuro[3,2-i]furo[2',3':5,6]pyrano[4,3-b][1,4]dioxacyclopentacosin-18-yl)propyl)carbamate
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Product Information
| Product Name | VCP-Eribulin |
|---|---|
| IUPAC Name | 4-((S)-2-((S)-2-amino-3-methylbutanamido)-5-ureidopentanamido)benzyl ((S)-2-hydroxy-3-((2S,5S,8S,11S,13R,15R,16aS,18R,19R,19aS,23R,24aS,25S,26aR,27S,28R,29aR,29bS)-19-methoxy-13-methyl-7,14-dimethylene-21-oxooctacosahydro-25H-2,27:5,8:11,15-triepoxy-23,25-ethano-2,28-methanofuro[3,2-i]furo[2',3':5,6]pyrano[4,3-b][1,4]dioxacyclopentacosin-18-yl)propyl)carbamate |
| Molecular Formula | C59H86N6O16 |
| Molecular Weight | 1135.36 |
| SMILES | C=C1C[C@@H]2CC[C@@]34O[C@@H]5[C@@]6([H])[C@](O[C@]7([H])[C@]5([H])O[C@](CC(C[C@@]8([H])[C@@](C[C@H]9O[C@H](C[C@H](C9=C)C)CC[C@@H]1O2)([H])O[C@@H]([C@@H]8OC)C[C@H](O)CNC(OCC%10=CC=C(C=C%10)NC([C@H](CCCNC(N)=O)NC([C@@H](N)C(C)C)=O)=O)=O)=O)([H])CC7)([H])[C@@]([C@@](O6)([H])C4)([H])O3 |
| InChI Key | XCLFUZYIXJRPRL-BGSXXLFGSA-N |
| Synonym | VCP-Eribulin |
| CAS No. | 2130869-17-7 |
Synthetic Route by SureRoute
2. ACFOHH559 Molecular Building Block Synthetic Route
4-((S)-2-((S)-2-(6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl ((S)-2-hydroxy-3-((2S,5S,8S,11S,13R,15R,16aS,18R,19R,19aS,23R,24aS,25S,26aR,27S,28R,29aR,29bS)-19-methoxy-13-methyl-7,14-dimethylene-21-oxooctacosahydro-25H-2,27:5,8:11,15-triepoxy-23,25-ethano-2,28-methanofuro[3,2-i]furo[2',3':5,6]pyrano[4,3-b][1,4]dioxacyclopentacosin-18-yl)propyl)carbamate
N-[3-[2-[2-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)ethoxy]ethoxy]-1-oxopropyl]-L-valyl-N5-(aminocarbonyl)-N-[4-[[[[[(2S)-2-hydroxy-3-[(2R,3R,3aS,7R,8aS,9S,10aR,11S,12R,13aR,13bS,15S,18S,21S,24S,26R,28R,29aS)-octacosahydro-3-methoxy-26-methyl-20,27-bis(methylene)-5-oxo-11,15:18,21:24,28-triepoxy-7,9-ethano-12,15-methano-9H,15H-furo[3,2-i]furo[2′,3′:5,6]pyrano[4,3-b][1,4]dioxacyclopentacosin-2-yl]propyl]amino]carbonyl]oxy]methyl]phenyl]-L-ornithinamide
GGFG-Eribulin