N-(1-Oxopentyl)-N-((2'-(2H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-L-valine methyl ester

C₂₅H₃₁N₅O₃CAS 137863-17-3449.56 g/mol

Open in Covalent MOL file

Amide Ester

Properties

Molecular formula: C₂₅H₃₁N₅O₃
Molar mass: 449.56 g/mol
Exact mass: 449.2427 Da
logP: 4.25Crippen estimate
Polar surface area: 101.1 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 10
Stereocentres: Sin SMILES atom order

Hazards

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

Identifiers

CAS number

137863-17-3

SMILES

CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)[C@@H](C(C)C)C(=O)OC

InChIKey

UJTNRXYTECQKFO-QHCPKHFHSA-N

InChI

InChI=1S/C25H31N5O3/c1-5-6-11-22(31)30(23(17(2)3)25(32)33-4)16-18-12-14-19(15-13-18)20-9-7-8-10-21(20)24-26-28-29-27-24/h7-10,12-15,17,23H,5-6,11,16H2,1-4H3,(H,26,27,28,29)/t23-/m0/s1

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Names and synonyms

1 names

Valsartan methyl ester

Work with N-(1-Oxopentyl)-N-((2'-(2H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-L-valine methyl ester

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

N-(1-Oxopentyl)-N-[[2′-(2H-tetrazol-5-yl)[1,1′-biphenyl]-4-yl]methyl]-L-valine phenylmethyl ester137863-20-882 % similar Valsartan137862-53-477 % similar Sacubitril-valsartan936623-90-453 % similar Triphyl valsartan195435-23-552 % similar Irbesartan138402-11-651 % similar Losartan carboxylic acid124750-92-140 % similar Olmesartan lactone impurity849206-43-539 % similar Losartan carboxaldehyde114798-36-639 % similar

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

Elsewhere

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