chempirical

Delapril hydrochloride

C26H33ClN2O5CAS 83435-67-0489.01 g/mol

Open in Covalent MOL file
OOHNONOHOHCl
AmideCarboxylic acidEsterSecondary amine

Properties

Molecular formula
C26H33ClN2O5
Molar mass
489.01 g/mol
Exact mass
488.2078 Da
Melting point
166–170 °C
logP
3.03Crippen estimate
Polar surface area
95.9 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
11
Stereocentres
S, Sin SMILES atom order

Identifiers

CAS number
83435-67-0
SMILES
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N(CC(=O)O)C1Cc2ccccc2C1.Cl
InChIKey
FDJCVHVKXFIEPJ-JCNFZFLDSA-N
InChI
InChI=1S/C26H32N2O5.ClH/c1-3-33-26(32)23(14-13-19-9-5-4-6-10-19)27-18(2)25(31)28(17-24(29)30)22-15-20-11-7-8-12-21(20)16-22;/h4-12,18,22-23,27H,3,13-17H2,1-2H3,(H,29,30);1H/t18-,23-;/m0./s1

Weigh it out

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

Names and synonyms

7 names
  • Glycine, N-[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]-L-alanyl-N-(2,3-dihydro-1H-inden-2-yl)-, hydrochloride (1:1)
  • Glycine, N-(2,3-dihydro-1H-inden-2-yl)-N-[N-[1-(ethoxycarbonyl)-3-phenylpropyl]-L-alanyl]-, monohydrochloride, (S)-
  • Glycine, N-[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]-L-alanyl-N-(2,3-dihydro-1H-inden-2-yl)-, monohydrochloride
  • CV 3317
  • Adecut
  • Cupressin
  • REV 6000A

Work with Delapril hydrochloride

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

Quinapril hydrochloride82586-55-871 % similar Quinapril85441-61-867 % similar Benazepril hydrochloride86541-74-466 % similar Enalapril75847-73-363 % similar Benazepril86541-75-562 % similar Moexipril hydrochloride82586-52-561 % similar Moexipril103775-10-659 % similar N-[1(S)-Ethoxycarbonyl-3-phenylpropyl]-L-alanine82717-96-258 % similar

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

Elsewhere

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