Account (S)-2,2',2''-(5-(4-Isothiocyanatobenzyl)-1-oxa-4,7,10-triazacyclododecane-4,7,10-triyl)triacetic acid
- Catalog No. :
- ACTCJK025
- CAS No. :
- 1370442-99-1
- Molecular Formula :
- C22H30N4O7S
- Molecular Weight :
- 494.57
IUPAC Name:(S)-2,2',2''-(5-(4-isothiocyanatobenzyl)-1-oxa-4,7,10-triazacyclododecane-4,7,10-triyl)triacetic acid
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Product Information
| Product Name | (S)-2,2',2''-(5-(4-Isothiocyanatobenzyl)-1-oxa-4,7,10-triazacyclododecane-4,7,10-triyl)triacetic acid |
|---|---|
| IUPAC Name | (S)-2,2',2''-(5-(4-isothiocyanatobenzyl)-1-oxa-4,7,10-triazacyclododecane-4,7,10-triyl)triacetic acid |
| Molecular Formula | C22H30N4O7S |
| Molecular Weight | 494.57 |
| SMILES | OC(CN(CCOCCN(CCN(C1)CC(O)=O)CC(O)=O)[C@H]1CC2=CC=C(C=C2)N=C=S)=O |
| InChI Key | VRELIIISCCUCHF-IBGZPJMESA-N |
| Synonym | p-SCN-Bn-oxo-DO3A;1-Oxa-4,7,10-triazacyclododecane-4,7,10-triacetic acid, 5-[(4-isothiocyanatophenyl)methyl]-, (5S)-;p-NCS-Bn-oxo-DO3 |
| CAS No. | 1370442-99-1 |
Synthetic Route by SureRoute
2. ACTCJK025 Molecular Building Block Synthetic Route
2,2',2'',2'''-(2-(4-Isothiocyanatobenzyl)-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl)tetraacetic acid
(S)-2,2',2'',2'''-(2-(4-isothiocyanatobenzyl)-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl)tetraacetic acid
2,2',2''-(2-(4-Isothiocyanatobenzyl)-1,4,7-triazonane-1,4,7-triyl)triacetic acid