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Home> Hot Product Listed S   > Synthetase,peptidoglycan
606490-07-7 structure

Synthetase,peptidoglycan

Iupac Name:5-amino-1,3a,6,7a-tetrahydrotriazolo[4,5-d]pyrimidin-7-one
CAS No.:606490-07-7
Molecular Weight:154.133
Molecular Formula:C12H27SN+ (isomer)
Names and Identifiers
Synonyms

Murein synthetase Mureinsynthase Peptidoglycan polymerase Peptidoglycan synthetase

Inchi
InChI=1S/C4H6N6O/c5-4-6-2-1(3(11)7-4)8-10-9-2/h1-2H,(H,8,9)(H3,5,6,7,11)
InChkey
JQEYKFMPCHACPK-UHFFFAOYSA-N
Canonical Smiles
C12C(N=C(NC1=O)N)N=NN2
Computational chemical data
  • Molecular Weight:154.133g/mol
  • Molecular Formula:C12H27SN+
  • Compound Is Canonicalized:True
  • Exact Mass:154.06
  • Monoisotopic Mass:154.06
  • Complexity:257
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:104A^2
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:2
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYBjoAAAAAAAAAAAAAAAAAAAAQAAAAAgAAAAAAAAAEAAAAAAHgAYAAAACCjBgAQBAALiAAAq AAEQNAAAAAEAAAARAIGAAACAQAgASAAUAAAAEQIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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