actinium-225; 2-[4,7,10,13,16-pentakis(carboxymethyl)-9-[(4-isothiocyanatophenyl)methyl]-1,4,7,10,13,16-hexazacyclooctadec-1-yl]ethanoic acid

Systemtic Name: actinium-225; 2-[4,7,10,13,16-pentakis(carboxymethyl)-9-[(4-isothiocyanatophenyl)methyl]-1,4,7,10,13,16-hexazacyclooctadec-1-yl]ethanoic acid Openeye Name: actinium-225; 2-[4,7,10,13,16-pentakis(carboxymethyl)-9-[(4-isothiocyanatophenyl)methyl]-1,4,7,10,13,16-hexazacyclooctadec-1-yl]acetic acid CAS Name: actinium-225; 2-[4,7,10,13,16-pentakis(carboxymethyl)-9-[(4-isothiocyanatophenyl)methyl]-1,4,7,10,13,16-hexazacyclooctadec-1-yl]acetic acid IUPAC Name: actinium-225; 2-[4,7,10,13,16-pentakis(carboxymethyl)-9-[(4-isothiocyanatophenyl)methyl]-1,4,7,10,13,16-hexazacyclooctadec-1-yl]acetic acid Traditional Name: actinium-225; 2-[4,7,10,13,16-pentakis(carboxymethyl)-9-(4-isothiocyanatobenzyl)-1,4,7,10,13,16-hexazacyclooctadec-1-yl]acetic acid Formula: C32H47AcN7O12S MolecularWeight: 978.843501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCN(C(CN(CCN(CCN1CC(=O)O)CC(=O)O)CC(=O)O)CC2=CC=C(C=C2)N=C=S)CC(=O)O)CC(=O)O)CC(=O)O.[Ac]

Isomeric SMILES

C1CN(CCN(CCN(C(CN(CCN(CCN1CC(=O)O)CC(=O)O)CC(=O)O)CC2=CC=C(C=C2)N=C=S)CC(=O)O)CC(=O)O)CC(=O)O.[225Ac]

InChI

InChI=1S/C32H47N7O12S.Ac/c40-27(41)17-34-5-6-35(18-28(42)43)9-10-37(20-30(46)47)13-14-39(22-32(50)51)26(15-24-1-3-25(4-2-24)33-23-52)16-38(21-31(48)49)12-11-36(8-7-34)19-29(44)45;/h1-4,26H,5-22H2,(H,40,41)(H,42,43)(H,44,45)(H,46,47)(H,48,49)(H,50,51);/i;1-2