Structure

InChI Key IYNDLOXRXUOGIU-LQDWTQKMSA-M
Smiles CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[K+]
InChI
InChI=1S/C16H18N2O4S.K/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);/q;+1/p-1/t11-,12+,14-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H17KN2O4S
Molecular Weight 372.49
AlogP 0.86
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 86.71
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 23.0

Metabolites Network

visNetwork

Pharmacology

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

Cross References

Resources Reference
ChEBI 7963
ChEMBL CHEMBL1223
FDA SRS VL775ZTH4C
PubChem 23664709
SureChEMBL SCHEMBL34078