Structure

InChI Key FCPVYOBCFFNJFS-LQDWTQKMSA-M
Smiles CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+]
InChI
InChI=1S/C16H18N2O4S.Na/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 C16H17N2NaO4S
Molecular Weight 356.38
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 51765
ChEMBL CHEMBL1126
FDA SRS YS5LY7JF4N
PubChem 23668834
SureChEMBL SCHEMBL34218
ZINC ZINC03871701