2-[4-[2-[6-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentylamino]hexylamino]-2-oxidanylidene-ethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid; yttrium-90

Systemtic Name: 2-[4-[2-[6-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentylamino]hexylamino]-2-oxidanylidene-ethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid; yttrium-90 Openeye Name: 2-[4-[2-[6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentylamino]hexylamino]-2-oxo-ethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid; yttrium-90 CAS Name: 2-[4-[2-[6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentylamino]hexylamino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid; yttrium-90 IUPAC Name: 2-[4-[2-[6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentylamino]hexylamino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid; yttrium-90 Traditional Name: 2-[4-[2-[6-[5-[(3aS,4S,6aR)-2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl]pentylamino]hexylamino]-2-keto-ethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid; yttrium-90 Formula: C32H58N8O8SY MolecularWeight: 804.823871

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCN(CCN1CC(=O)NCCCCCCNCCCCCC2C3C(CS2)NC(=O)N3)CC(=O)O)CC(=O)O)CC(=O)O.[Y]

Isomeric SMILES

C1CN(CCN(CCN(CCN1CC(=O)NCCCCCCNCCCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)CC(=O)O)CC(=O)O)CC(=O)O.[90Y]

InChI

InChI=1S/C32H58N8O8S.Y/c41-27(34-11-7-2-1-5-9-33-10-6-3-4-8-26-31-25(24-49-26)35-32(48)36-31)20-37-12-14-38(21-28(42)43)16-18-40(23-30(46)47)19-17-39(15-13-37)22-29(44)45;/h25-26,31,33H,1-24H2,(H,34,41)(H,42,43)(H,44,45)(H,46,47)(H2,35,36,48);/t25-,26-,31-;/m0./s1/i;1+1