chempirical

Tebipenem pivoxil

C22H31N3O6S2CAS 161715-24-8497.63 g/mol

Open in Covalent MOL file
HOONOOOOSNNS
AcetalAlcoholAlkeneAmideEsterLactamSulfide

Properties

Molecular formula
C22H31N3O6S2
Molar mass
497.63 g/mol
Exact mass
497.1654 Da
Melting point
140–142 °C
logP
1.67Crippen estimate
Polar surface area
108.7 Ų
H-bond donors / acceptors
1 / 10
Rotatable bonds
6
Stereocentres
R, S, R, Sin SMILES atom order

Identifiers

CAS number
161715-24-8
SMILES
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(SC3CN(C4=NCCS4)C3)[C@H](C)[C@H]12
InChIKey
SNUDIPVBUUXCDG-QHSBEEBCSA-N
InChI
InChI=1S/C22H31N3O6S2/c1-11-15-14(12(2)26)18(27)25(15)16(19(28)30-10-31-20(29)22(3,4)5)17(11)33-13-8-24(9-13)21-23-6-7-32-21/h11-15,26H,6-10H2,1-5H3/t11-,12-,14-,15-/m1/s1

Weigh it out

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

Names and synonyms

5 names
  • 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[1-(4,5-dihydro-2-thiazolyl)-3-azetidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, (4R,5S,6S)-
  • 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[1-(4,5-dihydro-2-thiazolyl)-3-azetidinyl]thio]-6-(1-hydroxyethyl)-4-methyl-7-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, [4R-[4α,5β,6β(R*)]]-
  • L 084
  • Orapenem
  • SPR 994

Work with Tebipenem pivoxil

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

Tebipenem161715-21-567 % similar Meropenem96036-03-238 % similar Biapenem120410-24-437 % similar Meropenem trihydrate119478-56-736 % similar Doripenem148016-81-335 % similar Doripenem hydrate364622-82-234 % similar Ertapenem153832-46-333 % similar Ertapenem sodium153773-82-131 % similar

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

Elsewhere

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