sulbenicillin   Click here for help

GtoPdb Ligand ID: 12273

Synonyms: SBPC
Compound class: Synthetic organic
Comment: Sulbenicillin is a semisynthetic penicillin belonging to the β-lactam class of antibacterial compounds.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 174.76
Molecular weight 414.06
XLogP 1.1
No. Lipinski's rules broken 0
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Canonical SMILES O=C(C(S(=O)(=O)O)c1ccccc1)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C
Isomeric SMILES CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(c1ccccc1)S(=O)(=O)O)C(=O)O)C
InChI InChI=1S/C16H18N2O7S2/c1-16(2)11(15(21)22)18-13(20)9(14(18)26-16)17-12(19)10(27(23,24)25)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,17,19)(H,21,22)(H,23,24,25)/t9-,10?,11+,14-/m1/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenyl-2-sulfoacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
International Nonproprietary Names Click here for help
INN number INN
3146 sulbenicillin
Synonyms Click here for help
Database Links Click here for help
Specialist databases
Antibiotic DB Antibiotic DB Database logo Sulbenicillin
Other databases
CAS Registry No. 41744-40-5 (source: Scifinder)
ChEMBL Ligand CHEMBL1256734
GtoPdb PubChem SID 473153861
PubChem CID 39031
Search Google for chemical match using the InChIKey JETQIUPBHQNHNZ-OAYJICASSA-N
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UniChem Compound Search for chemical match using the InChIKey JETQIUPBHQNHNZ-OAYJICASSA-N
UniChem Connectivity Search for chemical match using the InChIKey JETQIUPBHQNHNZ-OAYJICASSA-N