chempirical

Trandolapril

C24H34N2O5CAS 87679-37-6430.55 g/mol

Open in Covalent MOL file
OONHONOHO
AmideCarboxylic acidEsterSecondary amine

Properties

Molecular formula
C24H34N2O5
Molar mass
430.55 g/mol
Exact mass
430.2468 Da
logP
2.77Crippen estimate
Polar surface area
95.9 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
9
Stereocentres
S, S, S, R, Sin SMILES atom order

Identifiers

CAS number
87679-37-6
SMILES
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21
InChIKey
VXFJYXUZANRPDJ-WTNASJBWSA-N
InChI
InChI=1S/C24H34N2O5/c1-3-31-24(30)19(14-13-17-9-5-4-6-10-17)25-16(2)22(27)26-20-12-8-7-11-18(20)15-21(26)23(28)29/h4-6,9-10,16,18-21,25H,3,7-8,11-15H2,1-2H3,(H,28,29)/t16-,18+,19-,20-,21-/m0/s1

Weigh it out

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

Names and synonyms

7 names
  • 1H-Indole-2-carboxylic acid, 1-[(2S)-2-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]octahydro-, (2S,3aR,7aS)-
  • 1H-Indole-2-carboxylic acid, 1-[2-[[1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]octahydro-, [2S-[1[R*(R*)],2α,3aα,7aβ]]-
  • (2S,3aR,7aS)-1-[(2S)-2-[[(1S)-1-(Ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]octahydro-1H-indole-2-carboxylic acid
  • RU 44570
  • Odrik
  • Gopten
  • Mavik

Work with Trandolapril

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

Ramipril87333-19-597 % similar Perindopril82834-16-078 % similar Ramiprilat87269-97-476 % similar Enalapril75847-73-371 % similar Perindopril erbumine107133-36-869 % similar N-[1(S)-Ethoxycarbonyl-3-phenylpropyl]-L-alanine82717-96-266 % similar Quinapril85441-61-865 % similar Imidapril89371-37-964 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook