2-[4,7,10-tris(2-azanyl-2-oxidanylidene-ethyl)-4,10-diaza-1,7-diazoniacyclododec-1-yl]ethanamide

Systemtic Name: 2-[4,7,10-tris(2-azanyl-2-oxidanylidene-ethyl)-4,10-diaza-1,7-diazoniacyclododec-1-yl]ethanamide Openeye Name: 2-[4,7,10-tris(2-amino-2-oxo-ethyl)-4,10-diaza-1,7-diazoniacyclododec-1-yl]acetamide CAS Name: 2-[4,7,10-tris(2-amino-2-oxoethyl)-4,10-diaza-1,7-diazoniacyclododec-1-yl]acetamide IUPAC Name: 2-[4,7,10-tris(2-amino-2-oxoethyl)-4,10-diaza-1,7-diazoniacyclododec-1-yl]acetamide Traditional Name: 2-[4,7,10-tris(2-amino-2-keto-ethyl)-4,10-diaza-1,7-diazoniacyclododec-1-yl]acetamide Formula: C16H34N8O4+2 MolecularWeight: 402.49236

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+](CCN(CC[NH+]1CC(=O)N)CC(=O)N)CC(=O)N)CC(=O)N

Isomeric SMILES

C1CN(CC[NH+](CCN(CC[NH+]1CC(=O)N)CC(=O)N)CC(=O)N)CC(=O)N

InChI

InChI=1S/C16H32N8O4/c17-13(25)9-21-1-2-22(10-14(18)26)5-6-24(12-16(20)28)8-7-23(4-3-21)11-15(19)27/h1-12H2,(H2,17,25)(H2,18,26)(H2,19,27)(H2,20,28)/p+2