PENAMECILLIN

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: J01CE06
UNII: H0P1YE5581

Structure
InChI Key NLOOMWLTUVBWAW-HLLBOEOZSA-N
Smile CC(=O)OCOC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@H]2SC1(C)C
InChI
InChI=1S/C19H22N2O6S/c1-11(22)26-10-27-18(25)15-19(2,3)28-17-14(16(24)21(15)17)20-13(23)9-12-7-5-4-6-8-12/h4-8,14-15,17H,9-10H2,1-3H3,(H,20,23)/t14-,15+,17-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H22N2O6S
Molecular Weight 406.46
AlogP 0.84
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 102.01
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 28.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 131733
ChEMBL CHEMBL2106988
DrugBank DB13739
DrugCentral 2077
EPA CompTox DTXSID10243547
FDA SRS H0P1YE5581
PubChem 10250769
SureChEMBL SCHEMBL33895
ZINC ZINC000004217248
CONTENTS