2-[[(2S)-2-(bis(carboxymethyl)amino)-3-(4-ethoxyphenyl)propyl]-[2-(bis(carboxymethyl)amino)ethyl]amino]acetic acid; gadolinium(+3) cation

More details:

• Systematic name

  2-[[(2S)-2-(bis(carboxymethyl)amino)-3-(4-ethoxyphenyl)propyl]-[2-(bis(carboxymethyl)amino)ethyl]amino]acetic acid; gadolinium(+3) cation

• SMILES

  [Gd+3].O=C(O)CN(CC(=O)O)CCN(CC(=O)O)C[C@@H](N(CC(=O)O)CC(=O)O)Cc1ccc(OCC)cc1

• Std. InChi

  InChI=1S/C23H33N3O11.Gd/c1-2-37-18-5-3-16(4-6-18)9-17(26(14-22(33)34)15-23(35)36)10-24(11-19(27)28)7-8-25(12-20(29)30)13-21(31)32;/h3-6,17H,2,7-15H2,1H3,(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36);/q;+3/t17-;/m0./s1

• Std. InChIKey

  PCZHWPSNPWAQNF-LMOVPXPDSA-N

• Cite this record

  CSID:8660138, http://www.chemspider.com/Chemical-Structure.8660138.html (accessed 23:37, May 18, 2024)