2-[4,8-bis(carboxymethyl)-11-methyl-1,4,8,11-tetrazacyclotetradec-1-yl]ethanoic acid

Systemtic Name: 2-[4,8-bis(carboxymethyl)-11-methyl-1,4,8,11-tetrazacyclotetradec-1-yl]ethanoic acid Openeye Name: 2-[4,8-bis(carboxymethyl)-11-methyl-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid CAS Name: 2-[4,8-bis(carboxymethyl)-11-methyl-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid IUPAC Name: 2-[4,8-bis(carboxymethyl)-11-methyl-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid Traditional Name: 2-[4,8-bis(carboxymethyl)-11-methyl-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid Formula: C17H32N4O6 MolecularWeight: 388.45918

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CCN(CCCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O

Isomeric SMILES

CN1CCCN(CCN(CCCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O

InChI

InChI=1S/C17H32N4O6/c1-18-4-2-5-20(13-16(24)25)10-11-21(14-17(26)27)7-3-6-19(9-8-18)12-15(22)23/h2-14H2,1H3,(H,22,23)(H,24,25)(H,26,27)