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VTP-27999

CAT: 1410-M16740-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M16740-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A potent, highly selective renin inhibitor with IC50 of 0.47 nM.
CAS Number
942142-51-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
525.0806
Molecular Formula
C26H41ClN4O5
Notes
Research use only, not for human use.
Receptor
Renin

Chemical Information

Vtp-27999

VTP-27999 has been used in trials studying the basic science of Renal Function.

CAS Number942142-51-0
PubChem CID16126898
IUPAC Namemethyl N-[2-[(R)-(3-chlorophenyl)-[(3R)-1-[[(2S)-2-(methylamino)-3-[(3R)-oxan-3-yl]propyl]carbamoyl]piperidin-3-yl]methoxy]ethyl]carbamate
Molecular FormulaC26H41ClN4O5
Molecular Weight525.1
XLogP2.6
Topological Polar Surface Area101
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Heavy Atom Count36
Formal Charge0
Complexity672
SMILES
CN[C@@H](C[C@H]1CCCOC1)CNC(=O)N2CCC[C@H](C2)[C@H](C3=CC(=CC=C3)Cl)OCCNC(=O)OC
InChI
InChI=1S/C26H41ClN4O5/c1-28-23(14-19-6-5-12-35-18-19)16-30-25(32)31-11-4-8-21(17-31)24(20-7-3-9-22(27)15-20)36-13-10-29-26(33)34-2/h3,7,9,15,19,21,23-24,28H,4-6,8,10-14,16-18H2,1-2H3,(H,29,33)(H,30,32)/t19-,21-,23+,24+/m1/s1
InChIKey
NXWASIVXQMMPLM-ZXMXYHOLSA-N
Chemical Structure
2D Structure
2D structure of Vtp-27999
CAS: 942142-51-0
CID: 16126898
Formula: C26H41ClN4O5
MW: 525.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight525.1
XLogP32.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Exact Mass524.2765481
Monoisotopic Mass524.2765481
Topological Polar Surface Area101 Ų
Heavy Atom Count36
Formal Charge0
Complexity672
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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