Sch 29482   Click here for help

GtoPdb Ligand ID: 11031

Compound class: Synthetic organic
Comment: Sch 29482 is a penem antibiotic belonging to the β-lactam group. It is orally absorbed, has activity against both Gram-positive and Gram-negative bacteria (with the exception of Pseudomonas) and exhibits β-lactamase stability [1-2,4-5]. Sch 29482 has been dropped from developed for clinical use [3].
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 128.44
Molecular weight 275.03
XLogP 0.56
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCSC1=C(C(=O)O)N2[C@H](S1)C(C2=O)C(O)C
Isomeric SMILES CCSC1=C(C(=O)O)N2[C@H](S1)C(C2=O)C(O)C
InChI InChI=1S/C10H13NO4S2/c1-3-16-10-6(9(14)15)11-7(13)5(4(2)12)8(11)17-10/h4-5,8,12H,3H2,1-2H3,(H,14,15)/t4?,5?,8-/m1/s1
InChI Key LDVDKTLZRGWFID-MPKXYMLHSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(5R)-3-ethylsulfanyl-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Database Links Click here for help
Specialist databases
Antibiotic DB Antibiotic DB Database logo 1100
Other databases
CAS Registry No. 77646-83-4 (source: Scifinder)
GtoPdb PubChem SID 405560472
PubChem CID 3035195
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