Structure

InChI Key KLZWOWYOHUKJIG-BPUTZDHNSA-N
Smiles CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1C(=O)N(C)C[C@H]1C(=O)O
InChI
InChI=1S/C20H27N3O6/c1-4-29-19(27)15(11-10-14-8-6-5-7-9-14)21-13(2)17(24)23-16(18(25)26)12-22(3)20(23)28/h5-9,13,15-16,21H,4,10-12H2,1-3H3,(H,25,26)/t13-,15-,16-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H27N3O6
Molecular Weight 405.45
AlogP 0.88
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 116.25
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 29.0

Pharmacology

Mechanism of Action Action Reference
Angiotensin-converting enzyme inhibitor INHIBITOR Other
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Rattus norvegicus
- - - - 52-69.8

Target Conservation

Protein: Angiotensin-converting enzyme

Description: Angiotensin-converting enzyme

Organism : Homo sapiens

P12821 ENSG00000159640

Related Entries

Cross References

Resources Reference
ChEBI 135654
ChEMBL CHEMBL317094
DrugBank DB11783
DrugCentral 1424
FDA SRS BW7H1TJS22
Human Metabolome Database HMDB0041907
Guide to Pharmacology 6377
PubChem 5464343
SureChEMBL SCHEMBL34098
ZINC ZINC000003784427