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| IUPAC Name: | 2-[(9S)-7,10-bis(carboxymethyl)-9-[(4-isothiocyanatophenyl)methyl]-1-oxa-4,7,10-triazacyclododec-4-yl]acetic acid |
| Description: | p-SCN-Bn-oxo-DO3A, is a bifunctional chelating agent. |
| Molecular Weight: | 494.56 |
| Molecular Formula: | C22H30N4O7S |
| Canonical SMILES: | C1CN(CC(N(CCOCCN1CC(=O)O)CC(=O)O)CC2=CC=C(C=C2)N=C=S)CC(=O)O |
| InChI: | InChI=1S/C22H30N4O7S/c27-20(28)13-24-5-6-25(14-21(29)30)12-19(11-17-1-3-18(4-2-17)23-16-34)26(15-22(31)32)8-10-33-9-7-24/h1-4,19H,5-15H2,(H,27,28)(H,29,30)(H,31,32)/t19-/m0/s1 |
| InChI Key: | VRELIIISCCUCHF-IBGZPJMESA-N |
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