Cas no 105889-80-3 ([(2,2-dimethylpropanoyl)oxy]methyl (6R,7R)-7-{[(2Z)-2-{2-[(tert-butoxycarbonyl)amino]-1,3-thiazol-4-yl}pent-2-enoyl]amino}-3-[(carbamoyloxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate)

[(2,2-dimethylpropanoyl)oxy]methyl (6R,7R)-7-{[(2Z)-2-{2-[(tert-butoxycarbonyl)amino]-1,3-thiazol-4-yl}pent-2-enoyl]amino}-3-[(carbamoyloxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate structure
105889-80-3 structure
Product Name:[(2,2-dimethylpropanoyl)oxy]methyl (6R,7R)-7-{[(2Z)-2-{2-[(tert-butoxycarbonyl)amino]-1,3-thiazol-4-yl}pent-2-enoyl]amino}-3-[(carbamoyloxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS No:105889-80-3
MF:C28H37N5O10S2
MW:667.750884771347
CID:1164992
PubChem ID:10372273
Update Time:2025-04-20

[(2,2-dimethylpropanoyl)oxy]methyl (6R,7R)-7-{[(2Z)-2-{2-[(tert-butoxycarbonyl)amino]-1,3-thiazol-4-yl}pent-2-enoyl]amino}-3-[(carbamoyloxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • [(2,2-dimethylpropanoyl)oxy]methyl (6R,7R)-7-{[(2Z)-2-{2-[(tert-butoxycarbonyl)amino]-1,3-thiazol-4-yl}pent-2-enoyl]amino}-3-[(carbamoyloxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
    • 5-thia-1-<wbr>
    • 2,2-Dimethylpropanoyloxymethyl(6R,7R)-7-[(Z)-2-(2-t-Butoxy-carbonylamino-thiazol-4-yl)pent-2-enoylamino]-8-oxo-3-aminocarb-onyloxymethyl-5-thia-1-azabicylo[4.2.0]oct-2-ene-2-carboxylate
    • [(2,2-dimethylpropanoyl)oxy]methyl (6R,7R)-7-{[(2Z)-2-{2-[(tert-butoxycarbonyl)amino]-1,3-thiazol-4-yl}pent-2-enoyl]amino}-3-[(carbamoyloxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxyl
    • pivaloyloxymethyl 7β-[(Z)-2-(2-tert-butoxycarbonylaminothiazol-4-yl)-2-pentenoylamino]-3-carbamoyloxymethyl-3-cephem-4-carboxylate
    • Cefcapene Impurity 9
    • Cefcapene Impurity 2
    • (tert-Butoxycarbonyl)oxycefcapene pivoxil
    • DTXSID501098162
    • (pivaloyloxy)methyl (6R,7R)-7-((Z)-2-(2-((tert-butoxycarbonyl)amino)thiazol-4-yl)pent-2-enamido)-3-((carbamoyloxy)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
    • 105889-80-3
    • (2,2-Dimethyl-1-oxopropoxy)methyl (6R,7R)-3-[[(aminocarbonyl)oxy]methyl]-7-[[(2Z)-2-[2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-thiazolyl]-1-oxo-2-penten-1-yl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
    • SCHEMBL10686006
    • 2,2-Dimethylpropanoyloxymethyl (6R,7R)-3-(carbamoyloxymethyl)-7-[[(Z)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]pent-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
    • Inchi： 1S/C28H37N5O10S2/c1-8-9-15(16-12-45-25(30-16)32-26(39)43-28(5,6)7)19(34)31-17-20(35)33-18(14(10-40-24(29)38)11-44-21(17)33)22(36)41-13-42-23(37)27(2,3)4/h9,12,17,21H,8,10-11,13H2,1-7H3,(H2,29,38)(H,31,34)(H,30,32,39)/b15-9-/t17-,21-/m1/s1
    • InChI Key： MBCFXVZYMMCNLY-HDSFYLASSA-N
    • SMILES： S1CC(COC(N)=O)=C(C(=O)OCOC(C(C)(C)C)=O)N2C([C@H]([C@@H]12)NC(/C(=C\CC)/C1=CSC(NC(=O)OC(C)(C)C)=N1)=O)=O

Computed Properties

  • Exact Mass: 667.19818474g/mol
  • Monoisotopic Mass: 667.19818474g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 13
  • Heavy Atom Count: 45
  • Rotatable Bond Count: 16
  • Complexity: 1270
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.7
  • Topological Polar Surface Area: 259?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.4±0.1 g/cm3

[(2,2-dimethylpropanoyl)oxy]methyl (6R,7R)-7-{[(2Z)-2-{2-[(tert-butoxycarbonyl)amino]-1,3-thiazol-4-yl}pent-2-enoyl]amino}-3-[(carbamoyloxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Security Information

[(2,2-dimethylpropanoyl)oxy]methyl (6R,7R)-7-{[(2Z)-2-{2-[(tert-butoxycarbonyl)amino]-1,3-thiazol-4-yl}pent-2-enoyl]amino}-3-[(carbamoyloxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Pricemore >>

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[(2,2-dimethylpropanoyl)oxy]methyl (6R,7R)-7-{[(2Z)-2-{2-[(tert-butoxycarbonyl)amino]-1,3-thiazol-4-yl}pent-2-enoyl]amino}-3-[(carbamoyloxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
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A2B Chem LLC
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[(2,2-dimethylpropanoyl)oxy]methyl (6R,7R)-7-{[(2Z)-2-{2-[(tert-butoxycarbonyl)amino]-1,3-thiazol-4-yl}pent-2-enoyl]amino}-3-[(carbamoyloxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Related Literature

Related Categories

105889-80-3 ([(2,2-dimethylpropanoyl)oxy]methyl (6R,7R)-7-{[(2Z)-2-{2-[(tert-butoxycarbonyl)amino]-1,3-thiazol-4-yl}pent-2-enoyl]amino}-3-[(carbamoyloxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate) Related Products

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