PHENETHICILLIN

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: EFA30X554H

Structure
InChI Key NONJJLVGHLVQQM-JHXYUMNGSA-N
Smile CC(Oc1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12
InChI
InChI=1S/C17H20N2O5S/c1-9(24-10-7-5-4-6-8-10)13(20)18-11-14(21)19-12(16(22)23)17(2,3)25-15(11)19/h4-9,11-12,15H,1-3H3,(H,18,20)(H,22,23)/t9?,11-,12+,15-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H20N2O5S
Molecular Weight 364.42
AlogP 1.09
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 95.94
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 25.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 52427
ChEMBL CHEMBL1614637
DrugBank DB13337
DrugCentral 2124
EPA CompTox DTXSID6023448
FDA SRS EFA30X554H
SureChEMBL SCHEMBL3862
CONTENTS