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Substance Name: L 642946
RN: 80730-81-0
InChIKey: MYJKOJOAXNZQEL-IUFJOMBNSA-M

Molecular Formula

  • C24-H21-N5-O5-S4.Na

Molecular Weight

  • 609.706
 
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Names and Synonyms

Name of Substance

  • L 642946

Synonym

  • L-642946

Systematic Name

  • Pyridinium, 4-((2-carboxy-3-(((5-((carboxymethyl)thio)-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-7-yl)amino)-1-(phenylmethyl)-, hydroxide, inner salt, monosodium salt, (6R-trans)-

Registry Numbers

CAS Registry Number

  • 80730-81-0

System Generated Number

  • 0080730810

Molecular Formulas

Molecular Formula

  • C24-H21-N5-O5-S4.Na

Molecular Formula Fragments

  • C24-H21-N5-O5-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C24H21N5O5S4.Na/c30-17(31)13-37-24-27-26-23(38-24)36-12-15-11-35-21-18(20(32)29(21)19(15)22(33)34)25-16-6-8-28(9-7-16)10-14-4-2-1-3-5-14;/h1-9,18,21H,10-13H2,(H2,30,31,33,34);/q;+1/p-1/t18-,21-;/m1./s1

InChIKey

MYJKOJOAXNZQEL-IUFJOMBNSA-M

Smiles

[Na+].[O-]C(=O)CSc1nnc(SCC2=C(N3[C@H](SC2)[C@H](Nc4cc[n+](Cc5ccccc5)cc4)C3=O)C(=O)[O-])s1