chempirical

Enalapril

C20H28N2O5CAS 75847-73-3376.45 g/mol

Open in Covalent MOL file
OONHONOHO
AmideCarboxylic acidEsterSecondary amine

Properties

Molecular formula
C20H28N2O5
Molar mass
376.45 g/mol
Exact mass
376.1998 Da
Melting point
143–144 °C
logP
1.60Crippen estimate
Polar surface area
95.9 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
9
Stereocentres
S, S, Sin SMILES atom order

Identifiers

CAS number
75847-73-3
SMILES
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O
InChIKey
GBXSMTUPTTWBMN-XIRDDKMYSA-N
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • L-Proline, N-[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]-L-alanyl-
  • L-Proline, 1-[N-[1-(ethoxycarbonyl)-3-phenylpropyl]-L-alanyl]-, (S)-
  • N-[(1S)-1-(Ethoxycarbonyl)-3-phenylpropyl]-L-alanyl-L-proline
  • Enarenal

Work with Enalapril

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Enalaprilat76420-72-978 % similar Quinapril85441-61-877 % similar N-[(1S)-1-Carboxy-3-phenylpropyl]-L-alanyl-L-proline hydrate (1:2)84680-54-674 % similar Quinapril hydrochloride82586-55-874 % similar Cilazapril88768-40-572 % similar N-[1(S)-Ethoxycarbonyl-3-phenylpropyl]-L-alanine82717-96-271 % similar Ramipril87333-19-571 % similar Trandolapril87679-37-671 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook