Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 6VJE5G3D98
Parent Compound:

Structure

InChI Key YHJDZIQOCSDIQU-OEDJVVDHSA-N
Smiles CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1.Cl.O
InChI
InChI=1S/C16H17N3O4S.ClH.H2O/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9;;/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23);1H;1H2/t10-,11-,15-;;/m1../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H20ClN3O5S
Molecular Weight 401.87
AlogP 0.44
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 112.73
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 24.0

Pharmacology

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

Cross References

Resources Reference
ChEMBL CHEMBL1200366
FDA SRS 6VJE5G3D98
PubChem 62979
SureChEMBL SCHEMBL537060