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Z-DEVD-AFC

CAT: 0931-T36332Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T36332Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1135416-11-3
Target
Caspase, Others
Related Pathways
Apoptosis, Proteases/Proteasome, Others
Bioactivity
Z-DEVD-AFC has a wide range of applications in life science related research.
Smiles
CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)Nc1ccc2c(cc(=O)oc2c1)C(F)(F)F
Molecular Formula
C36H38F3N5O14
Molecular Weight
821.716
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Z-Devd-afc
CAS Number1135416-11-3
PubChem CID25108569
IUPAC Name(4S)-5-[[(2S)-1-[[(2S)-3-carboxy-1-oxo-1-[[2-oxo-4-(trifluoromethyl)chromen-7-yl]amino]propan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-[[(2S)-3-carboxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-5-oxopentanoic acid
Molecular FormulaC36H38F3N5O14
Molecular Weight821.7
XLogP1.1
Topological Polar Surface Area293
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count17
Rotatable Bond Count20
Heavy Atom Count58
Formal Charge0
Complexity1600
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)C(F)(F)F)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C36H38F3N5O14/c1-17(2)30(34(55)42-23(14-27(47)48)32(53)40-19-8-9-20-21(36(37,38)39)13-29(51)58-25(20)12-19)44-31(52)22(10-11-26(45)46)41-33(54)24(15-28(49)50)43-35(56)57-16-18-6-4-3-5-7-18/h3-9,12-13,17,22-24,30H,10-11,14-16H2,1-2H3,(H,40,53)(H,41,54)(H,42,55)(H,43,56)(H,44,52)(H,45,46)(H,47,48)(H,49,50)/t22-,23-,24-,30-/m0/s1
InChIKey
JEPURZRNABGOCW-CQUCHYGKSA-N
Chemical Structure
2D Structure
2D structure of Z-Devd-afc
CAS: 1135416-11-3
CID: 25108569
Formula: C36H38F3N5O14
MW: 821.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight821.7
XLogP31.1
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count17
Rotatable Bond Count20
Exact Mass821.23673539
Monoisotopic Mass821.23673539
Topological Polar Surface Area293 Ų
Heavy Atom Count58
Formal Charge0
Complexity1600
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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