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K11002

CAT: 0013-GTR19242505-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242505-02Size:50 mg
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Description
K11002 is a synthetic peptide inhibitor that selectively targets cysteine proteases. It is utilized in biochemical research to study protease function in vitro and has been applied in cellular models to investigate roles in processes like apoptosis and protein catabolism.
CAS Number
1348565-08-1
Smiles
[C@H] (CC1=CC=CC=C1) (C (N[C@H] (/C=C/S (=O) (=O) C2=CC=CC=C2) CCC3=CC=CC=C3) =O) NC (=O) N4CCOCC4.Br
Molecular Formula
C31H36BrN3O5S
Molecular Weight
642.6
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 9829299
CAS Number1348565-08-1
PubChem CID9829299
IUPAC NameN-[(2S)-1-[[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide
Molecular FormulaC31H35N3O5S
Molecular Weight561.7
XLogP4
Topological Polar Surface Area113
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Heavy Atom Count40
Formal Charge0
Complexity910
SMILES
C1COCCN1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCC3=CC=CC=C3)/C=C/S(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C31H35N3O5S/c35-30(29(24-26-12-6-2-7-13-26)33-31(36)34-19-21-39-22-20-34)32-27(17-16-25-10-4-1-5-11-25)18-23-40(37,38)28-14-8-3-9-15-28/h1-15,18,23,27,29H,16-17,19-22,24H2,(H,32,35)(H,33,36)/b23-18+/t27-,29-/m0/s1
InChIKey
HSZIWISHLSFWJO-PRABLTMGSA-N
Chemical Structure
2D Structure
2D structure of CID 9829299
CAS: 1348565-08-1
CID: 9829299
Formula: C31H35N3O5S
MW: 561.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight561.7
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass561.22974240
Monoisotopic Mass561.22974240
Topological Polar Surface Area113 Ų
Heavy Atom Count40
Formal Charge0
Complexity910
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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