2-[4,7-bis(2-oxidanidyl-2-oxidanylidene-ethyl)-10-[2-oxidanylidene-2-[5-[5-(2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]pentylamino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]ethanoate; yttrium-90(3+)

Systemtic Name: 2-[4,7-bis(2-oxidanidyl-2-oxidanylidene-ethyl)-10-[2-oxidanylidene-2-[5-[5-(2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]pentylamino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]ethanoate; yttrium-90(3+) Openeye Name: 2-[4,7-bis(2-oxido-2-oxo-ethyl)-10-[2-oxo-2-[5-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]pentylamino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate; yttrium-90(3+) CAS Name: 2-[4,7-bis(2-oxido-2-oxoethyl)-10-[2-oxo-2-[5-[[1-oxo-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentyl]amino]pentylamino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate; yttrium-90(3+) IUPAC Name: 2-[4,7-bis(2-oxido-2-oxoethyl)-10-[2-oxo-2-[5-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]pentylamino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate; yttrium-90(3+) Traditional Name: 2-[4-[2-keto-2-[5-[5-(2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl)pentanoylamino]pentylamino]ethyl]-7,10-bis(2-keto-2-oxido-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate; yttrium-90(3+) Formula: C31H51N8O9SY MolecularWeight: 801.756991

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCN(CCN1CC(=O)NCCCCCNC(=O)CCCCC2C3C(CS2)NC(=O)N3)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Y+3]

Isomeric SMILES

C1CN(CCN(CCN(CCN1CC(=O)NCCCCCNC(=O)CCCCC2C3C(CS2)NC(=O)N3)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[90Y+3]

InChI

InChI=1S/C31H54N8O9S.Y/c40-25(7-3-2-6-24-30-23(22-49-24)34-31(48)35-30)32-8-4-1-5-9-33-26(41)18-36-10-12-37(19-27(42)43)14-16-39(21-29(46)47)17-15-38(13-11-36)20-28(44)45;/h23-24,30H,1-22H2,(H,32,40)(H,33,41)(H,42,43)(H,44,45)(H,46,47)(H2,34,35,48);/q;+3/p-3/i;1+1