Cas no 2209852-05-9 ((6R,7R)-7-[[(2Z)-2-[2-(Benzoylamino)-4-thiazolyl]-5-[(3-methyl-2-buten-1-yl)oxy]-1,5-dioxo-2-penten-1-yl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid)

(6R,7R)-7-[[(2Z)-2-[2-(Benzoylamino)-4-thiazolyl]-5-[(3-methyl-2-buten-1-yl)oxy]-1,5-dioxo-2-penten-1-yl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid structure
2209852-05-9 structure
Product Name:(6R,7R)-7-[[(2Z)-2-[2-(Benzoylamino)-4-thiazolyl]-5-[(3-methyl-2-buten-1-yl)oxy]-1,5-dioxo-2-penten-1-yl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS No:2209852-05-9
MF:C27H26N4O7S2
MW:582.647943973541
CID:5616257
Update Time:2024-02-02

(6R,7R)-7-[[(2Z)-2-[2-(Benzoylamino)-4-thiazolyl]-5-[(3-methyl-2-buten-1-yl)oxy]-1,5-dioxo-2-penten-1-yl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • (6R,7R)-7-[[(2Z)-2-[2-(Benzoylamino)-4-thiazolyl]-5-[(3-methyl-2-buten-1-yl)oxy]-1,5-dioxo-2-penten-1-yl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • Inchi: 1S/C27H26N4O7S2/c1-15(2)10-12-38-20(32)9-8-17(18-14-40-27(28-18)30-22(33)16-6-4-3-5-7-16)23(34)29-21-24(35)31-19(26(36)37)11-13-39-25(21)31/h3-8,10-11,14,21,25H,9,12-13H2,1-2H3,(H,29,34)(H,36,37)(H,28,30,33)/b17-8-/t21-,25-/m1/s1
    • InChI Key: LSLANCVGKVGZFT-NMSSMIKRSA-N
    • SMILES: N12[C@@]([H])([C@H](NC(=O)/C(/C3=CSC(NC(=O)C4=CC=CC=C4)=N3)=C\CC(OC/C=C(/C)\C)=O)C1=O)SCC=C2C(O)=O

Experimental Properties

  • Density: 1.49±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
  • pka: 3.00±0.50(Predicted)

(6R,7R)-7-[[(2Z)-2-[2-(Benzoylamino)-4-thiazolyl]-5-[(3-methyl-2-buten-1-yl)oxy]-1,5-dioxo-2-penten-1-yl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Related Literature

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