chempirical

Tebipenem

C16H21N3O4S2CAS 161715-21-5383.48 g/mol

Open in Covalent MOL file
OHONOHOSNNS
AlcoholAlkeneAmideCarboxylic acidLactamSulfide

Properties

Molecular formula
C16H21N3O4S2
Molar mass
383.48 g/mol
Exact mass
383.0973 Da
logP
0.66Crippen estimate
Polar surface area
93.4 Ų
H-bond donors / acceptors
2 / 7
Rotatable bonds
4
Stereocentres
R, S, R, Sin SMILES atom order

Identifiers

CAS number
161715-21-5
SMILES
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SC3CN(C4=NCCS4)C3)[C@H](C)[C@H]12
InChIKey
GXXLUDOKHXEFBQ-YJFSRANCSA-N
InChI
InChI=1S/C16H21N3O4S2/c1-7-11-10(8(2)20)14(21)19(11)12(15(22)23)13(7)25-9-5-18(6-9)16-17-3-4-24-16/h7-11,20H,3-6H2,1-2H3,(H,22,23)/t7-,8-,10-,11-/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-, (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-, [4R-[4α,5β,6β(R*)]]-
  • (4R,5S,6S)-3-[[1-(4,5-Dihydro-2-thiazolyl)-3-azetidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • LJC 11036
  • SPR 859

Work with Tebipenem

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

Tebipenem pivoxil161715-24-867 % similar Meropenem96036-03-256 % similar Meropenem trihydrate119478-56-753 % similar Doripenem148016-81-351 % similar Doripenem hydrate364622-82-249 % similar Ertapenem153832-46-347 % similar Panipenem87726-17-842 % similar Biapenem120410-24-441 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook