2-[4,8-bis(2-azanyl-2-oxidanylidene-ethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanamide

Systemtic Name: 2-[4,8-bis(2-azanyl-2-oxidanylidene-ethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanamide Openeye Name: 2-[4,8-bis(2-amino-2-oxo-ethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetamide CAS Name: 2-[4,8-bis(2-amino-2-oxoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetamide IUPAC Name: 2-[4,8-bis(2-amino-2-oxoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetamide Traditional Name: 2-[4,8-bis(2-amino-2-keto-ethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetamide Formula: C16H33N7O3 MolecularWeight: 371.47832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(CCCN(CCN(C1)CC(=O)N)CC(=O)N)CC(=O)N

Isomeric SMILES

C1CNCCN(CCCN(CCN(C1)CC(=O)N)CC(=O)N)CC(=O)N

InChI

InChI=1S/C16H33N7O3/c17-14(24)11-21-6-2-7-23(13-16(19)26)10-9-22(12-15(18)25)5-1-3-20-4-8-21/h20H,1-13H2,(H2,17,24)(H2,18,25)(H2,19,26)