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Z-DEVD-CMK

CAT: 0931-T80660-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T80660-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
250584-13-5
Target
Cysteine Protease, Others
Related Pathways
Proteases/Proteasome, Others
Bioactivity
Z-DEVD-CMK irreversibly inhibits various cathepsins in vitro [1].
Smiles
[C@@H](NC([C@@H](NC(OCC1=CC=CC=C1)=O)CC(O)=O)=O)(C(N[C@H](C(N[C@H](C(CCl)=O)CC(O)=O)=O)[C@@H](C)C)=O)CCC(O)=O
Molecular Formula
C27H35ClN4O12
Molecular Weight
643.04
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

z-DEVD-cmk
CAS Number250584-13-5
PubChem CID9895697
IUPAC Name(4S)-5-[[(2S)-1-[[(2S)-1-carboxy-4-chloro-3-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-[[(2S)-3-carboxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-5-oxopentanoic acid
Molecular FormulaC27H35ClN4O12
Molecular Weight643.0
XLogP0.2
Topological Polar Surface Area255
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count20
Heavy Atom Count44
Formal Charge0
Complexity1060
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)CCl)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C27H35ClN4O12/c1-14(2)23(26(42)30-17(10-21(36)37)19(33)12-28)32-24(40)16(8-9-20(34)35)29-25(41)18(11-22(38)39)31-27(43)44-13-15-6-4-3-5-7-15/h3-7,14,16-18,23H,8-13H2,1-2H3,(H,29,41)(H,30,42)(H,31,43)(H,32,40)(H,34,35)(H,36,37)(H,38,39)/t16-,17-,18-,23-/m0/s1
InChIKey
GRXANEWUMQJHCJ-ORQYLMBXSA-N
Chemical Structure
2D Structure
2D structure of z-DEVD-cmk
CAS: 250584-13-5
CID: 9895697
Formula: C27H35ClN4O12
MW: 643.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight643.0
XLogP30.2
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count20
Exact Mass642.1940003
Monoisotopic Mass642.1940003
Topological Polar Surface Area255 Ų
Heavy Atom Count44
Formal Charge0
Complexity1060
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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