
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

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 |
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c1ccccc1 | 0.2824 |
FDBF00007 | propane |
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C(C)C | 0.2412 |
FDBF00025 | propan-1-amine |
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CCCN | 0.0292 |
FDBF00040 | ethanamine |
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CCN | 0.0677 |
FDBF00073 | N-ethylpropan-1-amine |
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N(CCC)CC | 0.0086 |
FDBF00100 | ethyl formate |
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O(C=O)CC | 0.0244 |
FDBF00190 | ethyl propanoate |
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C(C)C(=O)OCC | 0.0086 |
FDBF00192 | ethyl (2S)-2-aminopropanoate |
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C(C)(N)C(=O)OCC | 0.0031 |
FDBF00193 | propylbenzene |
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C(c1ccccc1)CC | 0.0186 |
FDBF00194 | 3-phenylpropan-1-amine |
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C(c1ccccc1)CCN | 0.0052 |