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

Systemtic Name: 2-[4,7-bis(carboxymethyl)-10-propyl-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid Openeye Name: 2-[4,7-bis(carboxymethyl)-10-propyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid CAS Name: 2-[4,7-bis(carboxymethyl)-10-propyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid IUPAC Name: 2-[4,7-bis(carboxymethyl)-10-propyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Traditional Name: 2-[4,7-bis(carboxymethyl)-10-propyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Formula: C17H32N4O6 MolecularWeight: 388.45918

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O

Isomeric SMILES

CCCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O

InChI

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