Cas no 75027-15-5 (2-oxopropyl (2S,5R,6R)-6-{[(E)-azepan-1-ylmethylidene]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate)

2-oxopropyl (2S,5R,6R)-6-{[(E)-azepan-1-ylmethylidene]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate structure
75027-15-5 structure
Product Name:2-oxopropyl (2S,5R,6R)-6-{[(E)-azepan-1-ylmethylidene]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CAS No:75027-15-5
MF:C18H27N3O4S
MW:381.489683389664
CID:1771780
PubChem ID:156544
Update Time:2025-04-21

2-oxopropyl (2S,5R,6R)-6-{[(E)-azepan-1-ylmethylidene]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 2-oxopropyl (2S,5R,6R)-6-{[(E)-azepan-1-ylmethylidene]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
    • 2-oxopropyl (2S,5R,6R)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
    • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((hexahydro-1H-azepin-1-yl)methylene)amino)-3,3-dimethyl-7-oxo-, 2-oxopropyl ester, (2S-(2alpha,5alpha,6beta))-
    • 75027-15-5
    • Amdinocillin methylacetate
    • AKOS040750398
    • Mecillinam acetylmethyl ester
    • DTXSID70860476
    • Inchi： 1S/C18H27N3O4S/c1-12(22)10-25-17(24)14-18(2,3)26-16-13(15(23)21(14)16)19-11-20-8-6-4-5-7-9-20/h11,13-14,16H,4-10H2,1-3H3/b19-11+/t13-,14+,16-/m1/s1
    • InChI Key： IHGQEUVCNFLSHK-WSINUTNJSA-N
    • SMILES： S1C(C)(C)[C@H](C(=O)OCC(C)=O)N2C([C@H]([C@@H]12)/N=C/N1CCCCCC1)=O

Computed Properties

  • Exact Mass: 381.17222752g/mol
  • Monoisotopic Mass: 381.17222752g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 6
  • Complexity: 614
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.5
  • Topological Polar Surface Area: 105?2

2-oxopropyl (2S,5R,6R)-6-{[(E)-azepan-1-ylmethylidene]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Related Literature

75027-15-5 (2-oxopropyl (2S,5R,6R)-6-{[(E)-azepan-1-ylmethylidene]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate) Related Products

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