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Tebipenem

CAT: 0926-LGA71521-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-LGA71521-02Size:10 mg
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CAS Number
161715-21-5
MDL Number
MFCD00936545
Smiles
C[C@@H]1[C@@H]2[C@H] (C (=O) N2C (=C1SC3CN (C3) C4=NCCS4) C (=O) O) [C@@H] (C) O
Molecular Formula
C16H21N3O4S2
Molecular Weight
383.49 g/mol
Controlled
No

Chemical Information

Tebipenem

an oral carbapenem antibiotic, against penicillin-nonsusceptible Streptococcus pneumoniae; structure in first source

CAS Number161715-21-5
PubChem CID9800194
IUPAC Name(4R,5S,6S)-3-[1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Molecular FormulaC16H21N3O4S2
Molecular Weight383.5
XLogP0.6
Topological Polar Surface Area144
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity689
SMILES
C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1SC3CN(C3)C4=NCCS4)C(=O)O)[C@@H](C)O
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
InChIKey
GXXLUDOKHXEFBQ-YJFSRANCSA-N
Chemical Structure
2D Structure
2D structure of Tebipenem
CAS: 161715-21-5
CID: 9800194
Formula: C16H21N3O4S2
MW: 383.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight383.5
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass383.09734851
Monoisotopic Mass383.09734851
Topological Polar Surface Area144 Ų
Heavy Atom Count25
Formal Charge0
Complexity689
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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