Synonyms
Status
Molecule Category UNKNOWN
ATC J01CA15
UNII 29OJI73DPC

Structure

InChI Key SOROUYSPFADXSN-SUWVAFIASA-N
Smiles CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)OC1OC(=O)c2ccccc21
InChI
InChI=1S/C24H23N3O6S/c1-24(2)17(22(31)33-23-14-11-7-6-10-13(14)21(30)32-23)27-19(29)16(20(27)34-24)26-18(28)15(25)12-8-4-3-5-9-12/h3-11,15-17,20,23H,25H2,1-2H3,(H,26,28)/t15-,16-,17+,20-,23?/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H23N3O6S
Molecular Weight 481.53
AlogP 1.65
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 128.03
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 34.0

Bioactivity

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

Related Entries

Cross References

Resources Reference
ChEBI 9391
ChEMBL CHEMBL1619785
DrugBank DB13814
DrugCentral 2554
FDA SRS 29OJI73DPC
KEGG C11751
PubChem 71447
SureChEMBL SCHEMBL34338