Structure

InChI Key BWWVAEOLVKTZFQ-ISVUSNJMSA-N
Smile CC1(C)S[C@@H]2[C@H](/N=C/N3CCCCCC3)C(=O)N2[C@H]1C(=O)O
InChI
InChI=1S/C15H23N3O3S/c1-15(2)11(14(20)21)18-12(19)10(13(18)22-15)16-9-17-7-5-3-4-6-8-17/h9-11,13H,3-8H2,1-2H3,(H,20,21)/b16-9+/t10-,11+,13-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H23N3O3S
Molecular Weight 325.43
AlogP 1.41
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 73.21
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 22.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Bacterial penicillin-binding protein 2 inhibitor PubMed Wikipedia

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 32887-01-7
ChEMBL CHEMBL530
DrugCentral 1648
EPA CompTox DTXSID3022584
FDA SRS V10579P3QZ
PubChem 36273
SureChEMBL SCHEMBL34388
ZINC ZINC000003830206