Account Antibiotic TAN-592B
- Catalog No. :
- ACRPSQ368
- CAS No. :
- 99685-75-3
- Molecular Formula :
- C29H47ClN10O14S
- Molecular Weight :
- 827.27
IUPAC Name:(6R,7S)-7-(5-amino-5-carboxypentanamido)-3-((((4S)-4-(((2R,3R,5S)-1,5-diamino-3,6-dihydroxy-1,4-dioxohexan-2-yl)amino)-7-((diaminomethylene)amino)-3-hydroxyheptanoyl)oxy)methyl)-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrochloride
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Product Information
| Product Name | Antibiotic TAN-592B |
|---|---|
| IUPAC Name | (6R,7S)-7-(5-amino-5-carboxypentanamido)-3-((((4S)-4-(((2R,3R,5S)-1,5-diamino-3,6-dihydroxy-1,4-dioxohexan-2-yl)amino)-7-((diaminomethylene)amino)-3-hydroxyheptanoyl)oxy)methyl)-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrochloride |
| Molecular Formula | C29H47ClN10O14S |
| Molecular Weight | 827.27 |
| SMILES | O=C(C(N12)=C(COC(CC(O)[C@@H](N[C@H]([C@@H](O)C([C@@H](N)CO)=O)C(N)=O)CCCNC(N)=N)=O)CS[C@]2([H])[C@@](NC=O)(NC(CCCC(N)C(O)=O)=O)C1=O)O.[H]Cl |
| InChI Key | FQWMHKOCOXEZJI-FROSJRLKSA-N |
| Synonym | Antibiotic tan-592B;Cephabacin F5 hydrochloride;TAN 592B;TAN592B;TAN-592B |
| CAS No. | 99685-75-3 |
Synthetic Route by SureRoute
2. ACRPSQ368 Molecular Building Block Synthetic Route
Zinc(II) (6R,7R)-3-(acetoxymethyl)-7-((R)-5-amino-5-carboxylatopentanamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
sodium (6R,7R)-3-(acetoxymethyl)-7-(5-amino-5-carboxypentanamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
(6R,7R)-3-(acetoxymethyl)-7-((R)-5-amino-5-carboxypentanamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, X sodium salt