3-[4,7-bis(2-carboxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoic acid

Systemtic Name: 3-[4,7-bis(2-carboxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoic acid Openeye Name: 3-[4,7-bis(2-carboxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoic acid CAS Name: 3-[4,7-bis(2-carboxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoic acid IUPAC Name: 3-[4,7-bis(2-carboxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoic acid Traditional Name: 3-[4,7-bis(2-carboxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]propionic acid Formula: C17H32N4O6 MolecularWeight: 388.45918

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCN(CCN1)CCC(=O)O)CCC(=O)O)CCC(=O)O

Isomeric SMILES

C1CN(CCN(CCN(CCN1)CCC(=O)O)CCC(=O)O)CCC(=O)O

InChI

InChI=1S/C17H32N4O6/c22-15(23)1-6-19-9-4-18-5-10-20(7-2-16(24)25)12-14-21(13-11-19)8-3-17(26)27/h18H,1-14H2,(H,22,23)(H,24,25)(H,26,27)