chempirical

Perindoprilat

C17H28N2O5CAS 95153-31-4340.42 g/mol

Open in Covalent MOL file
NHONOHOOOH
AmideCarboxylic acidSecondary amine

Properties

Molecular formula
C17H28N2O5
Molar mass
340.42 g/mol
Exact mass
340.1998 Da
logP
1.46Crippen estimate
Polar surface area
106.9 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
7
Stereocentres
S, S, S, S, Sin SMILES atom order

Identifiers

CAS number
95153-31-4
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)O
InChIKey
ODAIHABQVKJNIY-PEDHHIEDSA-N
InChI
InChI=1S/C17H28N2O5/c1-3-6-12(16(21)22)18-10(2)15(20)19-13-8-5-4-7-11(13)9-14(19)17(23)24/h10-14,18H,3-9H2,1-2H3,(H,21,22)(H,23,24)/t10-,11-,12-,13-,14-/m0/s1

Weigh it out

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

Names and synonyms

4 names
  • 1H-Indole-2-carboxylic acid, 1-[(2S)-2-[[(1S)-1-carboxybutyl]amino]-1-oxopropyl]octahydro-, (2S,3aS,7aS)-
  • 1H-Indole-2-carboxylic acid, 1-[2-[(1-carboxybutyl)amino]-1-oxopropyl]octahydro-, [2S-[1[R*(R*)],2α,3aβ,7aβ]]-
  • (2S,3aS,7aS)-1-[(2S)-2-[[(1S)-1-Carboxybutyl]amino]-1-oxopropyl]octahydro-1H-indole-2-carboxylic acid
  • S 9780

Work with Perindoprilat

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

Perindopril82834-16-079 % similar Ramiprilat87269-97-470 % similar Perindopril erbumine107133-36-869 % similar Trandolapril87679-37-661 % similar Perindopril L-arginine612548-45-559 % similar Ramipril87333-19-558 % similar Enalaprilat76420-72-945 % similar N-[(1S)-1-Carboxy-3-phenylpropyl]-L-alanyl-L-proline hydrate (1:2)84680-54-643 % similar

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

Elsewhere

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