Calcium (2S)-2-[(4-{[(2-amino-5-methyl-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinyl)methyl]amino}benzoyl)amino](¹³C₅)pentanedioate

More details:

• Systematic name

  Calcium (2S)-2-[(4-{[(2-amino-5-methyl-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinyl)methyl]amino}benzoyl)amino](~13~C_5_)pentanedioate

• SMILES

  [Ca+2].CN1C(CNC2NC(N)=NC(=O)C1=2)CNC1C=CC(=CC=1)C(=O)N[13C@@H]([13CH2][13CH2][13C]([O-])=O)[13C]([O-])=O

• Std. InChi

  InChI=1S/C20H25N7O6.Ca/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29;/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31);/q;+2/p-2/t12?,13-;/m0./s1/i6+1,7+1,13+1,14+1,19+1;

• Std. InChIKey

  VWBBRFHSPXRJQD-LALGMWLBSA-L

• Cite this record

  CSID:113055571, http://www.chemspider.com/Chemical-Structure.113055571.html (accessed 04:23, May 16, 2024)