Account Aeruginosin 865
- Catalog No. :
- ACWYIJ207
- CAS No. :
- 1611990-01-2
- Molecular Formula :
- C41H64N6O14
- Molecular Weight :
- 864.99
IUPAC Name:(2S,3S,4S,5S,6R)-6-(((2R,3aR,5S,6S,7aS)-2-((4-((diaminomethylene)amino)butyl)carbamoyl)-5-(hexanoyloxy)-1-(((R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl)-D-leucyl)octahydro-1H-indol-6-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
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Product Information
| Product Name | Aeruginosin 865 |
|---|---|
| IUPAC Name | (2S,3S,4S,5S,6R)-6-(((2R,3aR,5S,6S,7aS)-2-((4-((diaminomethylene)amino)butyl)carbamoyl)-5-(hexanoyloxy)-1-(((R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl)-D-leucyl)octahydro-1H-indol-6-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid |
| Molecular Formula | C41H64N6O14 |
| Molecular Weight | 864.99 |
| SMILES | O=C(O)[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](C[C@]3(C[C@@H](N([C@]3(C2)[H])C([C@@H](CC(C)C)NC([C@@H](CC4=CC=C(C=C4)O)O)=O)=O)C(NCCCCNC(N)=N)=O)[H])OC(CCCCC)=O)O)O)O |
| InChI Key | GYBRMQYCKSSXID-RIDHWVDWSA-N |
| Synonym | 2H-Pyran-2-carboxylic acid, 6-[[(2R,3aR,5S,6S,7aS)-2-[[[4-[(aminoiminomethyl)amino]butyl]amino]carbonyl]octahydro-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-methyl-1-oxopentyl]-5-[(1-oxohexyl)oxy]-1H-indol-6-yl]oxy]tetrahydro-3,4,5-trihydroxy-, (2S,3S,4S,5S,6R)-;Aeruginosin 865 |
| CAS No. | 1611990-01-2 |
Synthetic Route by SureRoute
2. ACWYIJ207 Molecular Building Block Synthetic Route
Aeruginosin 98-B
(2R,3R,4R,5S,6R)-6-(2-amino-4-((5S,8S,11S)-11-((S)-sec-butyl)-12-(2-((S)-2-((1R,2R)-3-(((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-2-oxoethyl)-5,8-diisopropyl-4,10-dimethyl-3,6,9-trioxo-2,13-dioxa-4,7,10-triazatetradecyl)phenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
MMAE-PAB(p-glucuronide)-PEG3-aminooxy