2-[4,7-bis(carboxymethyl)-10-pentyl-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid

Systemtic Name: 2-[4,7-bis(carboxymethyl)-10-pentyl-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid Openeye Name: 2-[4,7-bis(carboxymethyl)-10-pentyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid CAS Name: 2-[4,7-bis(carboxymethyl)-10-pentyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid IUPAC Name: 2-[4,7-bis(carboxymethyl)-10-pentyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Traditional Name: 2-[4-amyl-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Formula: C19H36N4O6 MolecularWeight: 416.51234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O

Isomeric SMILES

CCCCCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O

InChI

InChI=1S/C19H36N4O6/c1-2-3-4-5-20-6-8-21(14-17(24)25)10-12-23(16-19(28)29)13-11-22(9-7-20)15-18(26)27/h2-16H2,1H3,(H,24,25)(H,26,27)(H,28,29)