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SR 43845

CAT: 0013-GTR19199113Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199113Size:25 mg
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Description
SR 43845 is a potent and selective small molecule renin inhibitor. It is a valuable research tool for studying the renin-angiotensin system (RAS) in both in vitro biochemical assays and in vivo models of hypertension and cardiovascular disease.
CAS Number
114037-60-4
Field of Research
Metabolism Research
Smiles
CCC (C) C (NC (=O) CC (O) C (CC1CCCCC1) NC (=O) C (Cc1cnc[nH]1) NC (=O) C (Cc1ccccc1) NC (=O) CCc1cccnc1) C (=O) NC (C) (CO) CO
Molecular Formula
C44H64N8O8
Molecular Weight
833.044
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

SR 43845

RN given refers to (S-(R*,R*))-isomer; RN for cpd without isomeric designation not available 8/89

CAS Number114037-60-4
PubChem CID163918
IUPAC Name2-[[5-cyclohexyl-3-hydroxy-4-[[3-(1H-imidazol-5-yl)-2-[[3-phenyl-2-(3-pyridin-3-ylpropanoylamino)propanoyl]amino]propanoyl]amino]pentanoyl]amino]-N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-methylpentanamide
Molecular FormulaC44H64N8O8
Molecular Weight833.0
XLogP3
Topological Polar Surface Area248
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count10
Rotatable Bond Count24
Heavy Atom Count60
Formal Charge0
Complexity1340
SMILES
CCC(C)C(C(=O)NC(C)(CO)CO)NC(=O)CC(C(CC1CCCCC1)NC(=O)C(CC2=CN=CN2)NC(=O)C(CC3=CC=CC=C3)NC(=O)CCC4=CN=CC=C4)O
InChI
InChI=1S/C44H64N8O8/c1-4-29(2)40(43(60)52-44(3,26-53)27-54)51-39(57)23-37(55)34(20-30-12-7-5-8-13-30)49-42(59)36(22-33-25-46-28-47-33)50-41(58)35(21-31-14-9-6-10-15-31)48-38(56)18-17-32-16-11-19-45-24-32/h6,9-11,14-16,19,24-25,28-30,34-37,40,53-55H,4-5,7-8,12-13,17-18,20-23,26-27H2,1-3H3,(H,46,47)(H,48,56)(H,49,59)(H,50,58)(H,51,57)(H,52,60)
InChIKey
NZGWKVVFXREROW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SR 43845
CAS: 114037-60-4
CID: 163918
Formula: C44H64N8O8
MW: 833.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight833.0
XLogP33
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count10
Rotatable Bond Count24
Exact Mass832.48471103
Monoisotopic Mass832.48471103
Topological Polar Surface Area248 Ų
Heavy Atom Count60
Formal Charge0
Complexity1340
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count6
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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