Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Glycine, N-((3-((3-((bis(carboxymethyl)amino)methyl)-4-hydroxy-2-methyl-5-(1-methylethyl)phenyl)(2-sulfophenyl)methylene)-2-methyl-5-(1-methylethyl)-6-oxo-1,4-cyclohex adien-1-yl)methyl)-N-(carboxymethyl)-, pentasodium salt
RN: 4310-80-9
InChIKey: VNQDABAEOKWJDY-HRXGHFQDSA-I

Molecular Formula

  • C37-H44-N2-O13-S.5Na

Molecular Weight

  • 866.7321
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

  • Glycine, N-((3-((3-((bis(carboxymethyl)amino)methyl)-4-hydroxy-2-methyl-5-(1-methylethyl)phenyl)(2-sulfophenyl)methylene)-2-methyl-5-(1-methylethyl)-6-oxo-1,4-cyclohex adien-1-yl)methyl)-N-(carboxymethyl)-, pentasodium salt

Registry Numbers

CAS Registry Number

  • 4310-80-9

Related Registry Number

  • 1945-77-3 (Parent)

System Generated Number

  • 0004310809

Molecular Formulas

Molecular Formula

  • C37-H44-N2-O13-S.5Na

Molecular Formula Fragments

  • C37-H44-N2-O13-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C37H44N2O13S.5Na/c1-19(2)24-11-26(21(5)28(36(24)48)13-38(15-31(40)41)16-32(42)43)35(23-9-7-8-10-30(23)53(50,51)52)27-12-25(20(3)4)37(49)29(22(27)6)14-39(17-33(44)45)18-34(46)47;;;;;/h7-12,19-20,48H,13-18H2,1-6H3,(H,40,41)(H,42,43)(H,44,45)(H,46,47)(H,50,51,52);;;;;/q;5*+1/p-5/b35-27+;;;;;

InChIKey

VNQDABAEOKWJDY-HRXGHFQDSA-I

Smiles

Cc1c(cc(c(c1CN(CC(=O)[O-])CC(=O)[O-])O)C(C)C)/C(=C/2\C=C(C(=O)C(=C2C)CN(CC(=O)[O-])CC(=O)[O-])C(C)C)/c3ccccc3S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]