Products 3053227-76-9
CAS 3053227-76-9 is the registry number for DBCO-EN-DOTA, 95%. Offered by: Chemat. Available pack sizes: 10mg, 25mg.
2-[4-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethylamino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid (CAS 3053227-76-9) is a chemical compound with the molecular formula C37H47N7O9 and a molecular weight of 733.8 g/mol. IUPAC name: 2-[4-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethylamino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid. InChIKey: ZVPDFPBSFQFYAV-UHFFFAOYSA-N.
| Molecular formula | C37H47N7O9 |
|---|---|
| Molecular weight | 733.8 g/mol |
| IUPAC name | 2-[4-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethylamino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid |
| InChIKey | ZVPDFPBSFQFYAV-UHFFFAOYSA-N |
| SMILES | C1CN(CCN(CCN(CCN1CC(=O)NCCNC(=O)CCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42)CC(=O)O)CC(=O)O)CC(=O)O |
Computed by PubChem (NCBI)
Synonyms:
DOTA-DBCO, DBCO-EN-DOTA