chempirical

Enalaprilat

C18H24N2O5CAS 76420-72-9348.40 g/mol

Open in Covalent MOL file
NHOOHONOHO
AmideCarboxylic acidSecondary amine

Properties

Molecular formula
C18H24N2O5
Molar mass
348.40 g/mol
Exact mass
348.1685 Da
Melting point
148–151 °C
logP
1.13Crippen estimate
Polar surface area
106.9 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
8
Stereocentres
S, S, Sin SMILES atom order

Identifiers

CAS number
76420-72-9
SMILES
C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O
InChIKey
LZFZMUMEGBBDTC-QEJZJMRPSA-N
InChI
InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1

Weigh it out

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

Names and synonyms

10 names
  • L-Proline, N-[(1S)-1-carboxy-3-phenylpropyl]-L-alanyl-
  • L-Proline, 1-[N-(1-carboxy-3-phenylpropyl)-L-alanyl]-, (S)-
  • N-[(1S)-1-Carboxy-3-phenylpropyl]-L-alanyl-L-proline
  • MK 422
  • MK 421 diacid
  • N-[1(S)-Carboxy-3-phenylpropyl]-L-alanyl-L-proline
  • Enalaprilic acid
  • Enalapril acid
  • Enalapril diacid
  • Enalaprilate

Work with Enalaprilat

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

N-[(1S)-1-Carboxy-3-phenylpropyl]-L-alanyl-L-proline hydrate (1:2)84680-54-694 % similar Enalapril75847-73-378 % similar Lisinopril76547-98-369 % similar Lisinopril dihydrate83915-83-767 % similar Ramiprilat87269-97-466 % similar Quinapril85441-61-858 % similar Quinapril hydrochloride82586-55-856 % similar Cilazapril88768-40-554 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook