Account Cinodine II
- Catalog No. :
- ACSKRT359
- CAS No. :
- 60830-75-3
- Molecular Formula :
- C37H59N13O13
- Molecular Weight :
- 893.96
IUPAC Name:(E)-N-(3-((4-aminobutyl)amino)propyl)-3-(4-(((2R,3R,4S,5S,6R)-3-((diaminomethylene)amino)-4-hydroxy-5-(3-((2S,3R,4R,5R)-4-hydroxy-5-(((3aS,6S,7R,7aR)-2-oxo-7-ureidohexahydro-2H-pyrano[4,3-d]oxazol-6-yl)oxy)-3-ureidotetrahydro-2H-pyran-2-yl)ureido)-6-methyltetrahydro-2H-pyran-2-yl)oxy)phenyl)acrylamide
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Product Information
| Product Name | Cinodine II |
|---|---|
| IUPAC Name | (E)-N-(3-((4-aminobutyl)amino)propyl)-3-(4-(((2R,3R,4S,5S,6R)-3-((diaminomethylene)amino)-4-hydroxy-5-(3-((2S,3R,4R,5R)-4-hydroxy-5-(((3aS,6S,7R,7aR)-2-oxo-7-ureidohexahydro-2H-pyrano[4,3-d]oxazol-6-yl)oxy)-3-ureidotetrahydro-2H-pyran-2-yl)ureido)-6-methyltetrahydro-2H-pyran-2-yl)oxy)phenyl)acrylamide |
| Molecular Formula | C37H59N13O13 |
| Molecular Weight | 893.96 |
| SMILES | O=C(NCCCNCCCCN)/C=C/C1=CC=C(O[C@@H]2[C@H](NC(N)=N)[C@@H](O)[C@H](NC(N[C@@H]3[C@H](NC(N)=O)[C@@H](O)[C@H](O[C@H]4[C@H](NC(N)=O)[C@@]5([H])NC(O[C@]5([H])CO4)=O)CO3)=O)[C@@H](C)O2)C=C1 |
| InChI Key | JFKMOESWBQOEER-DXFZHRLCSA-N |
| Synonym | Cinodine II;Cinodine γ2;Cinodine II (9CI) |
| CAS No. | 60830-75-3 |
Synthetic Route by SureRoute
2. ACSKRT359 Molecular Building Block Synthetic Route
6-De(4-aminobutyl)-7-iminocinodine II
6-De(4-aminobutyl)-7-iminocinodine I
N2-(((9H-Fluoren-9-yl)methoxy)carbonyl)-N4-((2R,3R,4R,5S,6R)-3-acetamido-5-(((2S,3R,4R,5S,6R)-3-acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4-acetoxy-6-(acetoxymethyl)tetrahydro-2H-pyran-2-yl)-L-asparagine