2-[1,4,7-tris(azanyl)-4-[2-[1,4,7-tris(azanyl)-4-(carboxymethyl)cyclononyl]ethyl]cyclononyl]ethanoic acid

Systemtic Name: 2-[1,4,7-tris(azanyl)-4-[2-[1,4,7-tris(azanyl)-4-(carboxymethyl)cyclononyl]ethyl]cyclononyl]ethanoic acid Openeye Name: 2-[1,4,7-triamino-4-[2-[1,4,7-triamino-4-(carboxymethyl)cyclononyl]ethyl]cyclononyl]acetic acid CAS Name: 2-[1,4,7-triamino-4-[2-[1,4,7-triamino-4-(carboxymethyl)cyclononyl]ethyl]cyclononyl]acetic acid IUPAC Name: 2-[1,4,7-triamino-4-[2-[1,4,7-triamino-4-(carboxymethyl)cyclononyl]ethyl]cyclononyl]acetic acid Traditional Name: 2-[1,4,7-triamino-4-[2-[1,4,7-triamino-4-(carboxymethyl)cyclononyl]ethyl]cyclononyl]acetic acid Formula: C24H48N6O4 MolecularWeight: 484.67572

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC(CCC1N)(CC(=O)O)N)(CCC2(CCC(CCC(CC2)(CC(=O)O)N)N)N)N

Isomeric SMILES

C1CC(CCC(CCC1N)(CC(=O)O)N)(CCC2(CCC(CCC(CC2)(CC(=O)O)N)N)N)N

InChI

InChI=1S/C24H48N6O4/c25-17-1-5-21(27,11-13-23(29,7-3-17)15-19(31)32)9-10-22(28)6-2-18(26)4-8-24(30,14-12-22)16-20(33)34/h17-18H,1-16,25-30H2,(H,31,32)(H,33,34)