Structure

InChI Key OYFJQPXVCSSHAI-QFPUQLAESA-N
Smile CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O.O=C(O)/C=C\C(=O)O
InChI
InChI=1S/C20H28N2O5.C4H4O4/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25;5-3(6)1-2-4(7)8/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25);1-2H,(H,5,6)(H,7,8)/b;2-1-/t14-,16-,17-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H32N2O9
Molecular Weight 492.53
AlogP 1.6
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 95.94
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 27.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Angiotensin-converting enzyme inhibitor FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Proteinuria 3 D011507 ClinicalTrials
Arthritis, Rheumatoid 2 D001172 ClinicalTrials
Cerebral Hemorrhage 2 D002543 ClinicalTrials
Pre-Eclampsia 2 D011225 ClinicalTrials

Related Entries

MCS

Scaffolds

Mixture
Mixture
Mixture

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
10.39
Nervous system disorders
9.0
Cardiac disorders
8.53
Vascular disorders
7.99
Respiratory, thoracic and mediastinal disorders
7.66
Skin and subcutaneous tissue disorders
7.01
Gastrointestinal disorders
6.64
Metabolism and nutrition disorders
6.28
Investigations
5.4
Immune system disorders
4.82
Injury, poisoning and procedural complications
4.69
Renal and urinary disorders
4.6
Psychiatric disorders
4.46
Musculoskeletal and connective tissue disorders
2.72

Cross References

Resources Reference
ChEBI 4785
ChEMBL CHEMBL1200659
EPA CompTox DTXSID30896796
FDA SRS 9O25354EPJ
Guide to Pharmacology 6322
KEGG C06977
PubChem 5388961
SureChEMBL SCHEMBL9