Structure

InChI Key TVTJZMHAIQQZTL-WATAJHSMSA-M
Smile CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-])C(C)C.[Na+]
InChI
InChI=1S/C30H46NO7P.Na/c1-4-28(33)37-30(22(2)3)38-39(36,18-12-11-15-23-13-7-5-8-14-23)21-27(32)31-20-25(19-26(31)29(34)35)24-16-9-6-10-17-24;/h5,7-8,13-14,22,24-26,30H,4,6,9-12,15-21H2,1-3H3,(H,34,35);/q;+1/p-1/t25-,26+,30+,39-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H45NNaO7P
Molecular Weight 585.65
AlogP 6.12
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 14.0
Polar Surface Area 110.21
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 39.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Parent
Mixture

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Nervous system disorders
15.31
Vascular disorders
14.83
Gastrointestinal disorders
11.24
Skin and subcutaneous tissue disorders
10.29
Immune system disorders
7.42
General disorders and administration site conditions
6.7
Psychiatric disorders
5.98
Metabolism and nutrition disorders
4.55
Injury, poisoning and procedural complications
3.83
Respiratory, thoracic and mediastinal disorders
3.83
Endocrine disorders
2.63
Investigations
2.63
Musculoskeletal and connective tissue disorders
2.63
Product issues
2.15

Cross References

Resources Reference
ChEMBL CHEMBL3039596
FDA SRS NW2RTH6T2N
PubChem 49800050