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Isoleucine Valsartan

CAT: 1596-AR-V01130-01Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-V01130-01Size:250 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
137862-78-3
Synonyms
(2S) -2- (N- ((2'- (1H-tetrazol-5-yl) -[1,1'-biphenyl]-4-yl) methyl) pentanamido) -3-methylpentanoic acid; N- (1-Oxopentyl) -N-[[2'- (2H-tetrazol-5-yl) [1,1'-biphenyl]-4-yl]methyl]-L-Isoleucine
Molecular Formula
C25H31N5O3
Molecular Weight
449.56
API Name
Valsartan

Chemical Information

Isoleucine Valsartan
CAS Number137862-78-3
PubChem CID22852208
IUPAC Name(2S,3S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pentanoic acid
Molecular FormulaC25H31N5O3
Molecular Weight449.5
XLogP4.7
Topological Polar Surface Area112
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count33
Formal Charge0
Complexity625
SMILES
CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)[C@@H]([C@@H](C)CC)C(=O)O
InChI
InChI=1S/C25H31N5O3/c1-4-6-11-22(31)30(23(25(32)33)17(3)5-2)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,4-6,11,16H2,1-3H3,(H,32,33)(H,26,27,28,29)/t17-,23-/m0/s1
InChIKey
PTLZEWHOZCZLAQ-SBUREZEXSA-N
Chemical Structure
2D Structure
2D structure of Isoleucine Valsartan
CAS: 137862-78-3
CID: 22852208
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 Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass449.24268987
Monoisotopic Mass449.24268987
Topological Polar Surface Area112 Ų
Heavy Atom Count33
Formal Charge0
Complexity625
Isotope Atom Count0
Defined Atom Stereocenter Count2
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

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452584-01Isoleucine O-Benzyl N-Titryl Valsartan
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B2214-50Valsartan

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