Account 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
- Catalog No. :
- ACIXYI720
- CAS No. :
- 2130869-18-8
- Molecular Formula :
- C70H99N7O21
- Molecular Weight :
- 1374.59
IUPAC Name:4-((2S,5S)-15-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-5-isopropyl-4,7-dioxo-2-(3-ureidopropyl)-10,13-dioxa-3,6-diazapentadecanamido)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 structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 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 |
|---|---|
| IUPAC Name | 4-((2S,5S)-15-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-5-isopropyl-4,7-dioxo-2-(3-ureidopropyl)-10,13-dioxa-3,6-diazapentadecanamido)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 | C70H99N7O21 |
| Molecular Weight | 1374.59 |
| SMILES | C=C1[C@@]([H])2CC[C@]([H])3C[C@H](C([C@@]([H])(C[C@@]([H])4O[C@@H]([C@@H]([C@@]4([H])CC(C[C@]([H])4CC[C@@]([H])5O[C@@]([H])6[C@]([H])7O[C@]([H])8[C@]6([H])O[C@](CC[C@@]([H])(C1)O2)(C8)O[C@H]7[C@@]5([H])O4)=O)OC)C[C@H](O)CNC(=O)OCC1C=CC(=CC=1)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)CCOCCOCCN1C(C=CC1=O)=O)O3)=C)C |
| InChI Key | ODAGJGZILCZEBN-LHGNNKGASA-N |
| Synonym | 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(methy |
| CAS No. | 2130869-18-8 |
| PubChem CID | 138911392 |
Safety Data
- Pictogram
- Signal Word
- Danger
- Hazard Statement(s)
- H301
- Precautionary Statement(s)
- P201-P202-P281-P308+P313-P405-P501
Synthetic Route by SureRoute
2. ACIXYI720 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
VCP-Eribulin
MC-VC-PAB-Cyclohexanediamine-Thailanstatin A