10-[2-(2-azanylethylamino)-2-oxidanylidene-ethyl]-9-methyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid

Systemtic Name: 10-[2-(2-azanylethylamino)-2-oxidanylidene-ethyl]-9-methyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid Openeye Name: 10-[2-(2-aminoethylamino)-2-oxo-ethyl]-9-methyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid CAS Name: 10-[2-(2-aminoethylamino)-2-oxoethyl]-9-methyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid IUPAC Name: 10-[2-(2-aminoethylamino)-2-oxoethyl]-9-methyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid Traditional Name: 10-[2-(2-aminoethylamino)-2-keto-ethyl]-9-methyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid Formula: C16H30N6O7 MolecularWeight: 418.4454

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN(CCN(CCN1CC(=O)NCCN)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CC1CN(CCN(CCN(CCN1CC(=O)NCCN)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C16H30N6O7/c1-12-10-22(16(28)29)9-7-20(15(26)27)5-4-19(14(24)25)6-8-21(12)11-13(23)18-3-2-17/h12H,2-11,17H2,1H3,(H,18,23)(H,24,25)(H,26,27)(H,28,29)