2beta-[3-[1,4,7-Tris[[(S)-alpha-methylbenzyl]carbamoylmethyl]-1,4,7,10-tetraazacyclododecane-10-ylmethyl]-9-oxo-4-aza-9H-xanthene-7-ylcarbonylaminomethyl]-8'''alpha-(tert-butyldiphenylsiloxymethyl)[8alpha,2'beta-(thiobismethylene)-8'alpha,2''beta-(thiobismethylene)-8''alpha,2'''beta-(thiobismethylene)tetrakis(1-azonia-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine)]

Compound Identifiers & Properties

PubChem CID

101861759

SMILES

C[C@@H](C1=CC=CC=C1)[NH+]=C(CN2CCN(CCN(CCN(CC2)CC(=[NH+][C@@H](C)C3=CC=CC=C3)O)CC(=[NH+][C@@H](C)C4=CC=CC=C4)O)CC5=NC6=C(C=C5)C(=O)C7=C(O6)C=CC(=C7)C(=[NH+]C[C@H]8CCN9CC[C@@H](NC9=N8)CSC[C@H]1CCN2CC[C@@H](NC2=N1)CSC[C@H]1CCN2CC[C@@H](N=C2N1)CSC[C@H]1CCN2CC[C@@H](N=C2N1)CO[Si](C1=CC=CC=C1)(C1=CC=CC=C1)C(C)(C)C)O)O

Canonical SMILES

C[C@H]([NH+]=C(O)CN1CCN(CC(O)=[NH+][C@@H](C)c2ccccc2)CCN(Cc2ccc3c(=O)c4cc(C(O)=[NH+]C[C@H]5CCN6CC[C@H](CSC[C@H]7CCN8CC[C@H](CSC[C@H]9CCN%10CC[C@H](CSC[C@H]%11CCN%12CC[C@H](CO[Si](c%13ccccc%13)(c%13ccccc%13)C(C)(C)C)N=C%12N%11)N=C%10N9)NC8=N7)NC6=N5)ccc4oc3n2)CCN(CC(O)=[NH+][C@@H](C)c2ccccc2)CC1)c1ccccc1