Structure

InChI Key JQBKWZPHJOEQAO-DVPVEWDBSA-N
Smiles Cc1oc(=O)oc1COC(=O)C1=C([C@H]2CCCO2)S[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12
InChI
InChI=1S/C17H19NO8S/c1-7(19)11-14(20)18-12(13(27-15(11)18)9-4-3-5-23-9)16(21)24-6-10-8(2)25-17(22)26-10/h7,9,11,15,19H,3-6H2,1-2H3/t7-,9-,11+,15-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H19NO8S
Molecular Weight 397.41
AlogP 0.89
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 119.42
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 27.0

Pharmacology

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

Related Entries

Cross References

Resources Reference
ChEBI 134710
ChEMBL CHEMBL1257070
DrugBank DB05659
DrugCentral 5145
FDA SRS 5OK523O4FU
PubChem 6918218
SureChEMBL SCHEMBL2334640
ZINC ZINC000003806644