5,18-bis[3-(1,5,9,13,17-pentazacyclohenicos-9-yl)propyl]-1,5,9,14,18,22-hexazacyclohexacosane

Systemtic Name: 5,18-bis[3-(1,5,9,13,17-pentazacyclohenicos-9-yl)propyl]-1,5,9,14,18,22-hexazacyclohexacosane Openeye Name: 5,18-bis[3-(1,5,9,13,17-pentazacyclohenicos-9-yl)propyl]-1,5,9,14,18,22-hexazacyclohexacosane CAS Name: 5,18-bis[3-(1,5,9,13,17-pentazacycloheneicos-9-yl)propyl]-1,5,9,14,18,22-hexazacyclohexacosane IUPAC Name: 5,18-bis[3-(1,5,9,13,17-pentazacyclohenicos-9-yl)propyl]-1,5,9,14,18,22-hexazacyclohexacosane Traditional Name: 5,18-bis[3-(1,5,9,13,17-pentazacycloheneicos-9-yl)propyl]-1,5,9,14,18,22-hexazacyclohexacosane Formula: C58H128N16 MolecularWeight: 1049.74412

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNCCCNCCCN(CCCNCCCNC1)CCCN2CCCNCCCCNCCCN(CCCNCCCCNCCC2)CCCN3CCCNCCCNCCCCNCCCNCCC3

Isomeric SMILES

C1CCNCCCNCCCN(CCCNCCCNC1)CCCN2CCCNCCCCNCCCN(CCCNCCCCNCCC2)CCCN3CCCNCCCNCCCCNCCCNCCC3

InChI

InChI=1S/C58H128N16/c1-2-24-60-32-10-36-68-44-18-52-73(51-17-43-67-35-9-31-59-23-1)57-21-55-71-47-13-39-63-27-5-7-29-65-41-15-49-72(50-16-42-66-30-8-6-28-64-40-14-48-71)56-22-58-74-53-19-45-69-37-11-33-61-25-3-4-26-62-34-12-38-70-46-20-54-74/h59-70H,1-58H2