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SC 46944

CAT: 0013-GTR19208147-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208147-02Size:50 mg
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Description
SC 46944 is a potent and selective small molecule inhibitor of human renin. It is a valuable research tool for studying the renin-angiotensin system in both in vitro enzymatic assays and in vivo models of hypertension and cardiovascular disease.
CAS Number
120729-15-9
Field of Research
Metabolism Research
Smiles
[C@H] (CC1=CC=CC=C1) (C (N[C@H] (C (N[C@@H] (CC2CCCCC2) [C@H] ([C@H] (CC (C) C) O) O) =O) CC (C) C) =O) OC (=O) N3CCOCC3
Molecular Formula
C34H55N3O7
Molecular Weight
617.82
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

SC 46944

structure given in first source; RN given refers to (1S-(1R*(R*(R*)),2S*,3R*))-isomer; RN for cpd without isomeric designation not available 11/92

CAS Number120729-15-9
PubChem CID129249
IUPAC Name[(2S)-1-[[1-[[(3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl] morpholine-4-carboxylate
Molecular FormulaC34H55N3O7
Molecular Weight617.8
XLogP5.8
Topological Polar Surface Area137
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count16
Heavy Atom Count44
Formal Charge0
Complexity867
SMILES
CC(C)C[C@@H]([C@@H](C(CC1CCCCC1)NC(=O)C(CC(C)C)NC(=O)[C@H](CC2=CC=CC=C2)OC(=O)N3CCOCC3)O)O
InChI
InChI=1S/C34H55N3O7/c1-23(2)19-28(32(40)35-27(21-25-11-7-5-8-12-25)31(39)29(38)20-24(3)4)36-33(41)30(22-26-13-9-6-10-14-26)44-34(42)37-15-17-43-18-16-37/h6,9-10,13-14,23-25,27-31,38-39H,5,7-8,11-12,15-22H2,1-4H3,(H,35,40)(H,36,41)/t27?,28?,29-,30-,31+/m0/s1
InChIKey
ARNZFWZVMWZHAI-VTMJAYRDSA-N
Chemical Structure
2D Structure
2D structure of SC 46944
CAS: 120729-15-9
CID: 129249
Formula: C34H55N3O7
MW: 617.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight617.8
XLogP35.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count16
Exact Mass617.40400110
Monoisotopic Mass617.40400110
Topological Polar Surface Area137 Ų
Heavy Atom Count44
Formal Charge0
Complexity867
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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