Structure

InChI Key NKZMPZCWBSWAOX-IBTYICNHSA-M
Smile CC1(C)[C@H](C(=O)[O-])N2C(=O)C[C@H]2S1(=O)=O.[Na+]
InChI
InChI=1S/C8H11NO5S.Na/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14;/h5-6H,3H2,1-2H3,(H,11,12);/q;+1/p-1/t5-,6+;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H10NNaO5S
Molecular Weight 255.23
AlogP -0.79
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 91.75
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 15.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Bacterial beta-lactamase TEM inhibitor FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pneumonia, Bacterial 3 D018410 ClinicalTrials

Related Entries

Scaffolds

Parent
Mixture

Cross References

Resources Reference
ChEBI 157785
ChEMBL CHEMBL1200944
FDA SRS DKQ4T82YE6
KEGG C14001
PubChem 23663973
SureChEMBL SCHEMBL667857