(2S,8S)-2,8-bis(1H-imidazol-5-ylmethyl)-1,4,7,10-tetrazacyclododecane

Systemtic Name: (2S,8S)-2,8-bis(1H-imidazol-5-ylmethyl)-1,4,7,10-tetrazacyclododecane Openeye Name: (2S,8S)-2,8-bis(1H-imidazol-5-ylmethyl)-1,4,7,10-tetrazacyclododecane CAS Name: (2S,8S)-2,8-bis(1H-imidazol-5-ylmethyl)-1,4,7,10-tetrazacyclododecane IUPAC Name: (2S,8S)-2,8-bis(1H-imidazol-5-ylmethyl)-1,4,7,10-tetrazacyclododecane Traditional Name: (2S,8S)-2,8-bis(1H-imidazol-5-ylmethyl)-1,4,7,10-tetrazacyclododecane Formula: C16H28N8 MolecularWeight: 332.44712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNC(CNCCNC(CN1)CC2=CN=CN2)CC3=CN=CN3

Isomeric SMILES

C1CN[C@H](CNCCN[C@H](CN1)CC2=CN=CN2)CC3=CN=CN3

InChI

InChI=1S/C16H28N8/c1-3-21-14(6-16-10-20-12-24-16)8-18-2-4-22-13(7-17-1)5-15-9-19-11-23-15/h9-14,17-18,21-22H,1-8H2,(H,19,23)(H,20,24)/t13-,14-/m0/s1