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Home > Encyclopedia > {(E)-3-[(6R,7R)-7-AMINO-2-CARBOXYLATO-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-EN-3-

{(E)-3-[(6R,7R)-7-AMINO-2-CARBOXYLATO-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-EN-3-

{(E)-3-[(6R,7R)-7-AMINO-2-CARBOXYLATO-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-EN-3- structure

{(E)-3-[(6R,7R)-7-AMINO-2-CARBOXYLATO-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-EN-3- 

structure
  • CAS No:

    160115-08-2

  • Formula:

    C15H22N4O4S

  • Chemical Name:

    {(E)-3-[(6R,7R)-7-AMINO-2-CARBOXYLATO-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-EN-3-

  • Synonyms:

    CTK4D0329;DTXSID70936226;2-Propen-1-aminium,3-(7-amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)-N-(2-amino-2-oxoethyl)-N-ethyl-N-methyl-,inner salt, [6R-[3(E),6a,7b]]- (9CI);7-Amino-3-{3-[ethyl(2-hydroxy-2-iminoethyl)methylazaniumyl]prop-1-en-1-yl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

{(E)-3-[(6R,7R)-7-AMINO-2-CARBOXYLATO-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-EN-3- Basic Attributes

354.42458

354.136

Characteristics

155

-3.1

Computed Properties

Molecular Weight:354.4
XLogP3:-3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:354.13617637
Monoisotopic Mass:354.13617637
Topological Polar Surface Area:155
Heavy Atom Count:24
Complexity:628
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:1
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of {(E)-3-[(6R,7R)-7-AMINO-2-CARBOXYLATO-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-EN-3-

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