CEPHALOGLYCIN

Search structure
Trade Names:
Synonyms:
Status: Approved (1970)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: HD2D469W6U

Structure
InChI Key FUBBGQLTSCSAON-PBFPGSCMSA-N
Smile CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1
InChI
InChI=1S/C18H19N3O6S/c1-9(22)27-7-11-8-28-17-13(16(24)21(17)14(11)18(25)26)20-15(23)12(19)10-5-3-2-4-6-10/h2-6,12-13,17H,7-8,19H2,1H3,(H,20,23)(H,25,26)/t12-,13-,17-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H19N3O6S
Molecular Weight 405.43
AlogP -0.01
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 139.03
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 28.0

Pharmacology

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

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 3577-01-3
ChEBI 34613
ChEMBL CHEMBL1200971
DrugBank DB00689
DrugCentral 572
EPA CompTox DTXSID4022781
FDA SRS HD2D469W6U
Human Metabolome Database HMDB0014827
KEGG C13440
PharmGKB PA164781027
PubChem 166592
SureChEMBL SCHEMBL2947
ZINC ZINC000003830503
CONTENTS