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Methylsilanol acetyltyrosine

CAT: 0013-GTR19198883Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198883Size:25 mg
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Description
Methylsilanol acetyltyrosine acts as an angiotensin-converting enzyme (ACE) inhibitor. This small molecule is utilized in biochemical research to study hypertension and cardiovascular mechanisms, with applications in both in vitro enzymatic assays and in vivo pharmacological models.
CAS Number
476170-34-0
Smiles
C ([C@H] (NC (C) =O) C (O) =O) C1=CC=C (O[Si] (C) (O) O) C=C1
Molecular Formula
C12H17NO6Si
Molecular Weight
299.35
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Methylsilanol acetyltyrosine
CAS Number476170-34-0
PubChem CID71587745
IUPAC Name(2S)-2-acetamido-3-[4-[dihydroxy(methyl)silyl]oxyphenyl]propanoic acid
Molecular FormulaC12H17NO6Si
Molecular Weight299.35
Topological Polar Surface Area116
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count20
Formal Charge0
Complexity354
SMILES
CC(=O)N[C@@H](CC1=CC=C(C=C1)O[Si](C)(O)O)C(=O)O
InChI
InChI=1S/C12H17NO6Si/c1-8(14)13-11(12(15)16)7-9-3-5-10(6-4-9)19-20(2,17)18/h3-6,11,17-18H,7H2,1-2H3,(H,13,14)(H,15,16)/t11-/m0/s1
InChIKey
DKBVMOJIVATKCZ-NSHDSACASA-N
Chemical Structure
2D Structure
2D structure of Methylsilanol acetyltyrosine
CAS: 476170-34-0
CID: 71587745
Formula: C12H17NO6Si
MW: 299.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight299.35
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass299.08251380
Monoisotopic Mass299.08251380
Topological Polar Surface Area116 Ų
Heavy Atom Count20
Formal Charge0
Complexity354
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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