Synonyms
Status
Molecule Category Free-form
ATC J01DI03
UNII F52Y83BGH3
EPA CompTox DTXSID0046430

Structure

InChI Key HGGAKXAHAYOLDJ-FHZUQPTBSA-N
Smiles C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C([C@H]3CCCO3)S[C@H]12
InChI
InChI=1S/C12H15NO5S/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6/h5-7,11,14H,2-4H2,1H3,(H,16,17)/t5-,6-,7+,11-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H15NO5S
Molecular Weight 285.32
AlogP 0.37
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 87.07
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 19.0

Pharmacology

Mechanism of Action Action Reference
Bacterial penicillin-binding protein inhibitor INHIBITOR PubMed Other PubMed PubMed

Related Entries

Cross References

Resources Reference
ChEBI 51257
ChEMBL CHEMBL556262
DrugBank DB12190
DrugCentral 1131
FDA SRS F52Y83BGH3
Human Metabolome Database HMDB0041892
Guide to Pharmacology 10808
PDB FPM
PubChem 65894
SureChEMBL SCHEMBL239381
ZINC ZINC000003959242