Triphyl valsartan

C43H43N5O3CAS 195435-23-5677.85 g/mol

Open in Covalent MOL file
ONNNNNOHO
AmideCarboxylic acid

Properties

Molecular formula
C43H43N5O3
Molar mass
677.85 g/mol
Exact mass
677.3366 Da
logP
8.48Crippen estimate
Polar surface area
101.2 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
14
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
195435-23-5
SMILES
CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NN(N=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)[C@@H](C(C)C)C(=O)O
InChIKey
HQCWKLWGCQAUOU-FAIXQHPJSA-N
InChI
InChI=1S/C43H43N5O3/c1-4-5-25-39(49)47(40(31(2)3)42(50)51)30-32-26-28-33(29-27-32)37-23-15-16-24-38(37)41-44-46-48(45-41)43(34-17-9-6-10-18-34,35-19-11-7-12-20-35)36-21-13-8-14-22-36/h6-24,26-29,31,40H,4-5,25,30H2,1-3H3,(H,50,51)/t40-/m0/s1

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Names and synonyms

1 names
  • Triphenylvalsartan

Work with Triphyl valsartan

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

Valsartan137862-53-468 % similar N-(1-Oxopentyl)-N-((2'-(2H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-L-valine methyl ester137863-17-352 % similar N-(1-Oxopentyl)-N-[[2′-(2H-tetrazol-5-yl)[1,1′-biphenyl]-4-yl]methyl]-L-valine phenylmethyl ester137863-20-852 % similar 2-Butyl-4-chloro-1-[[2′-[2-(triphenylmethyl)-2H-tetrazol-5-yl][1,1′-biphenyl]-4-yl]methyl]-1H-imidazole-5-methanol133909-99-645 % similar Sacubitril-valsartan936623-90-441 % similar 2-Butyl-3-[[2′-[1-(triphenylmethyl)-1H-tetrazol-5-yl][1,1′-biphenyl]-4-yl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one138402-10-540 % similar Irbesartan138402-11-637 % similar cis-1,3-Dibenzyl-2-imidazolidone-4,5-dicarboxylic acid51591-75-434 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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