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

Systemtic Name: 2-[4,8-bis(carboxymethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanoic acid Openeye Name: 2-[4,8-bis(carboxymethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid CAS Name: 2-[4,8-bis(carboxymethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid IUPAC Name: 2-[4,8-bis(carboxymethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid Traditional Name: 2-[4,8-bis(carboxymethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid Formula: C16H30N4O6 MolecularWeight: 374.4326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H30N4O6/c21-14(22)11-18-6-2-7-20(13-16(25)26)10-9-19(12-15(23)24)5-1-3-17-4-8-18/h17H,1-13H2,(H,21,22)(H,23,24)(H,25,26)