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Calpeptin

CAT: 0607-A4411-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-A4411-50Size:50 mg
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Description
Ca2+-dependent protease,calpain inhibitor
CAS Number
117591-20-5
Product Name Alternative
benzyl N-[4-methyl-1-oxo-1-(1-oxohexan-2-ylamino)pentan-2-yl]carbamate
Field of Research
Proteases Calpains
Purity
0.98
Form
A crystalline solid
Solubility
insoluble in H2O; ≥87.6 mg/mL in DMSO; ≥96.6 mg/mL in EtOH
Smiles
CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)OCC1=CC=CC=C1
Molecular Formula
C20H30N2O4
Molecular Weight
362.47
Shipping Conditions
Blue ice
Storage Conditions
Desiccate at 4°C.

Chemical Information

Calpeptin

Calpeptin is an amino acid amide.

CAS Number117591-20-5
PubChem CID73364
IUPAC Namebenzyl N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxohexan-2-yl]amino]pentan-2-yl]carbamate
Molecular FormulaC20H30N2O4
Molecular Weight362.5
XLogP3.9
Topological Polar Surface Area84.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Heavy Atom Count26
Formal Charge0
Complexity434
SMILES
CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C20H30N2O4/c1-4-5-11-17(13-23)21-19(24)18(12-15(2)3)22-20(25)26-14-16-9-7-6-8-10-16/h6-10,13,15,17-18H,4-5,11-12,14H2,1-3H3,(H,21,24)(H,22,25)/t17-,18-/m0/s1
InChIKey
PGGUOGKHUUUWAF-ROUUACIJSA-N
Chemical Structure
2D Structure
2D structure of Calpeptin
CAS: 117591-20-5
CID: 73364
Formula: C20H30N2O4
MW: 362.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight362.5
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Exact Mass362.22055744
Monoisotopic Mass362.22055744
Topological Polar Surface Area84.5 Ų
Heavy Atom Count26
Formal Charge0
Complexity434
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

Alternative Products

CatalogName
MBS696231-01Calpeptin

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