chempirical

Perindopril L-arginine

C25H46N6O7CAS 612548-45-5542.68 g/mol

Open in Covalent MOL file
NHONOHOOONHH2NNHNH2OOH
AmideCarboxylic acidEsterGuanidinePrimary amineSecondary amine

Properties

Molecular formula
C25H46N6O7
Molar mass
542.68 g/mol
Exact mass
542.3428 Da
logP
0.60Crippen estimate
Polar surface area
221.2 Ų
H-bond donors / acceptors
7 / 8
Rotatable bonds
13
Stereocentres
S, S, S, S, S, Sin SMILES atom order

Identifiers

CAS number
612548-45-5
SMILES
CCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)OCC.N=C(N)NCCC[C@H](N)C(=O)O
InChIKey
RYCSJJXKEWBUTI-YDYAIEMNSA-N
InChI
InChI=1S/C19H32N2O5.C6H14N4O2/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24;7-4(5(11)12)2-1-3-10-6(8)9/h12-16,20H,4-11H2,1-3H3,(H,23,24);4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t12-,13-,14-,15-,16-;4-/m00/s1

Weigh it out

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

Names and synonyms

2 names
  • L-Arginine, (2S,3aS,7aS)-1-[(2S)-2-[[(1S)-1-(ethoxycarbonyl)butyl]amino]-1-oxopropyl]octahydro-1H-indole-2-carboxylate (1:1)
  • L-Arginine, mono[(2S,3aS,7aS)-1-[(2S)-2-[[(1S)-1-(ethoxycarbonyl)butyl]amino]-1-oxopropyl]octahydro-1H-indole-2-carboxylate]

Work with Perindopril L-arginine

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

Perindopril82834-16-074 % similar Perindopril erbumine107133-36-869 % similar Trandolapril87679-37-660 % similar Perindoprilat95153-31-459 % similar Ramipril87333-19-558 % similar N-[(1S)-1-Carboxyethyl]-L-norvaline 1-ethyl ester82834-12-645 % similar Arginine ethyl ester dihydrochloride36589-29-445 % similar Ramiprilat87269-97-444 % similar

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

Elsewhere

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