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Substance Name: E 0702
RN: 77768-57-1
InChIKey: KBEFTEIZDFHDJP-UHFFFAOYSA-N

Molecular Formula

  • C29-H23-N7-O12-S2.2Na

Molecular Weight

  • 748.6597
 
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Names and Synonyms

Name of Substance

  • E 0702

Synonym

  • E-0702

Systematic Name

  • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-(((1-(carboxymethyl)-1H-tetrazol-5-yl)thio)methyl)-7-(((((6,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl)carbonyl)amino)(4-hydroxyphenyl)acetyl)amino)-8-oxo-, disodium salt, (6R-(6alpha,7beta(R*)))-

Registry Numbers

CAS Registry Number

  • 77768-57-1

System Generated Number

  • 0077768571

Molecular Formulas

Molecular Formula

  • C29-H23-N7-O12-S2.2Na

Molecular Formula Fragments

  • C29-H23-N7-O12-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C29H23N7O12S2.Na/c37-13-3-1-11(2-4-13)20(30-24(43)15-8-48-18-6-17(39)16(38)5-14(18)23(15)42)25(44)31-21-26(45)36-22(28(46)47)12(9-49-27(21)36)10-50-29-32-33-34-35(29)7-19(40)41;/h1-6,8,20-21,27,37-39H,7,9-10H2,(H,30,43)(H,31,44)(H,40,41)(H,46,47);/q;+1

InChIKey

KBEFTEIZDFHDJP-UHFFFAOYSA-N

Smiles

[Na+].OC(=O)Cn1nnnc1SCC2=C(N3C(SC2)C(NC(=O)C(NC(=O)C4=COc5cc(O)c(O)cc5C4=O)c6ccc(O)cc6)C3=O)C(=O)O