Structure

InChI Key RIWWMGQFMUUYIY-ALLHVENQSA-M
Smiles Cc1cc(O)c(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nnnn4C)CS[C@H]23)c2ccc(O)cc2)cn1.[Na+]
InChI
InChI=1S/C25H24N8O7S2.Na/c1-11-7-16(35)15(8-26-11)20(36)27-17(12-3-5-14(34)6-4-12)21(37)28-18-22(38)33-19(24(39)40)13(9-41-23(18)33)10-42-25-29-30-31-32(25)2;/h3-8,17-18,23,34H,9-10H2,1-2H3,(H,26,35)(H,27,36)(H,28,37)(H,39,40);/q;+1/p-1/t17-,18-,23-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H23N8NaO7S2
Molecular Weight 634.63
AlogP 0.33
Hydrogen Bond Acceptor 13.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 9.0
Polar Surface Area 212.76
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 42.0

Pharmacology

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

Cross References

Resources Reference
ChEBI 31377
ChEMBL CHEMBL1200672
FDA SRS 137KB7GYKB
KEGG C13376
PubChem 23663969
SureChEMBL SCHEMBL194379