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Substance Name: (6R-trans)-3-(Acetoxymethyl)-8-oxo-7-(2-(4-pyridylthio)acetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, compound with N,N'-bis(phenylmethyl)ethylenediamine (1:1)
RN: 68121-47-1
InChIKey: JZLUDZCHWAMNDD-OALZAMAHSA-N

Molecular Formula

  • C17-H17-N3-O6-S2.C16-H20-N2

Molecular Weight

  • 663.8163
 
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Names and Synonyms

Synonym

  • EINECS 268-528-6

Systematic Name

  • (6R-trans)-3-(Acetoxymethyl)-8-oxo-7-(2-(4-pyridylthio)acetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, compound with N,N'-bis(phenylmethyl)ethylenediamine (1:1)

Registry Numbers

CAS Registry Number

  • 68121-47-1

System Generated Number

  • 0068121471

Molecular Formulas

Molecular Formula

  • C17-H17-N3-O6-S2.C16-H20-N2

Molecular Formula Fragments

  • C16-H20-N2
  • C17-H17-N3-O6-S2
  • COMPONENT

Structure Descriptors

InChI

1S/C17H17N3O6S2.C16H20N2/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25);1-10,17-18H,11-14H2/t13-,16-;/m1./s1

InChIKey

JZLUDZCHWAMNDD-OALZAMAHSA-N

Smiles

CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CSc3ccncc3)SC1)C(=O)O.c1ccc(cc1)CNCCNCc2ccccc2