2-[4,10-bis(carboxymethyl)-7-[1,4,5-tris(oxidanyl)pentan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid

Systemtic Name: 2-[4,10-bis(carboxymethyl)-7-[1,4,5-tris(oxidanyl)pentan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid Openeye Name: 2-[4,10-bis(carboxymethyl)-7-[3,4-dihydroxy-1-(hydroxymethyl)butyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid CAS Name: 2-[4,10-bis(carboxymethyl)-7-(1,4,5-trihydroxypentan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid IUPAC Name: 2-[4,10-bis(carboxymethyl)-7-(1,4,5-trihydroxypentan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Traditional Name: 2-[4,10-bis(carboxymethyl)-7-(3,4-dihydroxy-1-methylol-butyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Formula: C19H36N4O9 MolecularWeight: 464.51054

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)O)C(CC(CO)O)CO)CC(=O)O

Isomeric SMILES

C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)O)C(CC(CO)O)CO)CC(=O)O

InChI

InChI=1S/C19H36N4O9/c24-13-15(9-16(26)14-25)23-7-5-21(11-18(29)30)3-1-20(10-17(27)28)2-4-22(6-8-23)12-19(31)32/h15-16,24-26H,1-14H2,(H,27,28)(H,29,30)(H,31,32)