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Substance Name: Antibiotic 88617
RN: 112525-65-2
InChIKey: PCZBRDGZHMHPIE-NFXQZBBISA-N

Molecular Weight

  • 329.394
 
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Names and Synonyms

Name of Substance

  • Antibiotic 88617

Synonyms

  • 6-(1-Fluoroethyl)-7-oxo-3-((N,N,N'-triemthylcarbamimidoyl)methyl)thio-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid
  • 88617 Antibiotic

Systematic Name

  • 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-((2-(dimethylamino)-2-(methylimino)ethyl)thio)-6-(1-fluoroethyl)-7-oxo-, (5R-(5alpha,6alpha(R*)))-

Registry Numbers

CAS Registry Number

  • 112525-65-2

System Generated Number

  • 0112525652

Structure Descriptors

InChI

1S/C14H20FN3O3S/c1-7(15)11-8-5-9(22-6-10(16-2)17(3)4)12(14(20)21)18(8)13(11)19/h7-8,11H,5-6H2,1-4H3,(H,20,21)/b16-10-/t7-,8-,11+/m1/s1

InChIKey

PCZBRDGZHMHPIE-NFXQZBBISA-N

Smiles

C[C@H]([C@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)SC/C(=N/C)/N(C)C)F