Responsive image

Common name


Enalapril

IUPAC name


(2S)-1-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]pyrrolidine-2-carboxylic acid

SMILES


CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=O

Compound class


Angiotensin-Converting Enzyme Inhibitors; Antihypertensive Agents; Cardiovascular System; Agents Acting on the Renin-Angiotensin System; ACE Inhibitors, Plain; ACE Inhibitors and Diuretics; ACE Inhibitors and Calcium Channel Blockers; CYP3A4 Inhibitors;

Therapeutic area


For the treatment of essential or renovascular hypertension and symptomatic congestive heart failure. It may be used alone or in combination with thiazide diuretics.

Common name


Enalapril

IUPAC name


(2S)-1-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]pyrrolidine-2-carboxylic acid

SMILES


CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=O

INCHI


InChI=1S/C20H28N2O5/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/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25)/t14-,16-,17-/m0/s1

FORMULA


C20H28N2O5

Responsive image

Common name


Enalapril

IUPAC name


(2S)-1-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]pyrrolidine-2-carboxylic acid

Molecular weight


376.447

clogP


2.216

clogS


-2.946

HBond Acceptor


5

HBond Donor


2

Total Polar
Surface Area


95.94

Number of Rings


2

Rotatable Bond


11

Drug ID Common name Structure CAS SMILE Frequency
FDBF00005 benzene Responsive image c1ccccc1 0.2824
FDBF00007 propane Responsive image C(C)C 0.2412
FDBF00025 propan-1-amine Responsive image CCCN 0.0292
FDBF00040 ethanamine Responsive image CCN 0.0677
FDBF00073 N-ethylpropan-1-amine Responsive image N(CCC)CC 0.0086
FDBF00100 ethyl formate Responsive image O(C=O)CC 0.0244
FDBF00190 ethyl propanoate Responsive image C(C)C(=O)OCC 0.0086
FDBF00192 ethyl (2S)-2-aminopropanoate Responsive image C(C)(N)C(=O)OCC 0.0031
FDBF00193 propylbenzene Responsive image C(c1ccccc1)CC 0.0186
FDBF00194 3-phenylpropan-1-amine Responsive image C(c1ccccc1)CCN 0.0052
18 , 2