Cas no 2209855-00-3 (Diphenylmethyl (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-carboxylate)

Diphenylmethyl (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-carboxylate structure
2209855-00-3 structure
Product Name:Diphenylmethyl (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-carboxylate
CAS No:2209855-00-3
MF:C40H36N4O7S2
MW:748.86644744873
CID:5616256
Update Time:2024-02-02

Diphenylmethyl (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-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Diphenylmethyl (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-carboxylate
    • Inchi: 1S/C40H36N4O7S2/c1-25(2)20-22-50-32(45)19-18-29(30-24-53-40(41-30)43-35(46)28-16-10-5-11-17-28)36(47)42-33-37(48)44-31(21-23-52-38(33)44)39(49)51-34(26-12-6-3-7-13-26)27-14-8-4-9-15-27/h3-18,20-21,24,33-34,38H,19,22-23H2,1-2H3,(H,42,47)(H,41,43,46)/b29-18-/t33-,38-/m1/s1
    • InChI Key: CPHKCBUFSIUPBQ-MFGRZCSDSA-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(OC(C1=CC=CC=C1)C1=CC=CC=C1)=O

Experimental Properties

  • Density: 1.40±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
  • pka: 6.90±0.70(Predicted)
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