chempirical

Tazobactam diphenylmethyl ester

C23H22N4O5SCAS 89789-07-1466.51 g/mol

Open in Covalent MOL file
NNNOONOSOO
AmideEsterLactamSulfone

Properties

Molecular formula
C23H22N4O5S
Molar mass
466.51 g/mol
Exact mass
466.1311 Da
logP
1.73Crippen estimate
Polar surface area
111.5 Ų
H-bond donors / acceptors
0 / 7
Rotatable bonds
6
Stereocentres
S, S, Rin SMILES atom order

Identifiers

CAS number
89789-07-1
SMILES
C[C@]1(Cn2ccnn2)[C@H](C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C[C@H]2S1(=O)=O
InChIKey
PHGXFQIAGFMIHJ-NWSQWKLXSA-N
InChI
InChI=1S/C23H22N4O5S/c1-23(15-26-13-12-24-25-26)21(27-18(28)14-19(27)33(23,30)31)22(29)32-20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-13,19-21H,14-15H2,1H3/t19-,21+,23+/m1/s1

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Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3-methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-, diphenylmethyl ester, 4,4-dioxide, (2S,3S,5R)-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3-methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-, diphenylmethyl ester, 4,4-dioxide, [2S-(2α,3β,5α)]-
  • 1H-1,2,3-Triazole, 4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid deriv.

Work with Tazobactam diphenylmethyl ester

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Tazobactam89786-04-963 % similar Tazobactam sodium89785-84-260 % similar Sultamicillin76497-13-735 % similar Sulbactam pivoxil69388-79-035 % similar Sulbactam68373-14-833 % similar Sultamicillin tosylate83105-70-832 % similar Sulbactam sodium69388-84-732 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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