Structure

InChI Key OKBVVJOGVLARMR-QSWIMTSFSA-N
Smiles C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\OCC(=O)O)c3csc(N)n3)[C@H]2SC1
InChI
InChI=1S/C16H15N5O7S2/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7/h2,5,10,14H,1,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27)/b20-9-/t10-,14-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H15N5O7S2
Molecular Weight 453.46
AlogP -0.54
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 8.0
Polar Surface Area 184.51
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 30.0

Pharmacology

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

Related Entries

Cross References

Resources Reference
ChEBI 472657
ChEMBL CHEMBL1541
DrugBank DB00671
DrugCentral 537
FDA SRS XZ7BG04GJX
Human Metabolome Database HMDB0014809
Guide to Pharmacology 10898
KEGG C06881
PDB C04
PubChem 5491577
SureChEMBL SCHEMBL24945
ZINC ZINC000004468778