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Valsartan Methyl Ester

CAT: 0024-sc-475937Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-475937Size:50 mg
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CAS Number
137863-17-3

Chemical Information

N-(1-Oxopentyl)-N-((2'-(2H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-L-valine methyl ester
CAS Number137863-17-3
PubChem CID11561462
IUPAC Namemethyl (2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoate
Molecular FormulaC25H31N5O3
Molecular Weight449.5
XLogP4.7
Topological Polar Surface Area101
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count33
Formal Charge0
Complexity623
SMILES
CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)[C@@H](C(C)C)C(=O)OC
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
InChIKey
UJTNRXYTECQKFO-QHCPKHFHSA-N
Chemical Structure
2D Structure
2D structure of N-(1-Oxopentyl)-N-((2'-(2H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-L-valine methyl ester
CAS: 137863-17-3
CID: 11561462
Formula: C25H31N5O3
MW: 449.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight449.5
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass449.24268987
Monoisotopic Mass449.24268987
Topological Polar Surface Area101 Ų
Heavy Atom Count33
Formal Charge0
Complexity623
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-W414915-01Valsartan methyl ester
HY-W414915R-01Valsartan methyl ester (Standard)
CS-EO-04004Valsartan Desvaleryl Methyl Ester
167046Valsartan Methyl Ester-d9
TRC-N002960-100MGNitroso Valsartan Methyl Ester
CS-O-56876D-Valsartan methyl ester
CS-O-45535Trityl valsartan methyl ester
RM-V192005-01Valsartan Related Compound E; Valsartan Methyl Ester
GTR19305290-01N-Nitroso Valsartan Methyl Ester
AR-V01134-01Valsartan Cyano Desvaleryl Methyl Ester

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