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Dabcyl-YVADAPV-EDANS

CAT: 0931-T35615Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T35615Size:1 mg
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CAS Number
161877-70-9
Bioactivity
Dabcyl YVADAPV EDANS is a fluorescent IL-1β converting enzyme (ICE) substrate that can be used to detect ICE-like protease activity. Dabcyl YVADAPV EDANS detects fluorescence at λex=360 nm, λem=480 nm.
Smiles
S(=O)(=O)(O)C=1C2=C(C(NCCNC([C@@H](NC(=O)[C@H]3N(C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CC4=CC=C(O)C=C4)NC(=O)C5=CC=C(N=NC6=CC=C(N(C)C)C=C6)C=C5)=O)[C@H](C)C)=O)C)=O)CC(O)=O)=O)C)=O)CCC3)[C@@H](C)C)=O)=CC=C2)C=CC1
Molecular Formula
C61H76N12O14S
Molecular Weight
1233.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Dabcyl-YVADAPV-EDANS
CAS Number161877-70-9
PubChem CID20834272
IUPAC Name(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[4-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-4-[[(2S)-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-1-[2-[(5-sulfonaphthalen-1-yl)amino]ethylamino]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
Molecular FormulaC61H76N12O14S
Molecular Weight1233.4
XLogP5.6
Topological Polar Surface Area384
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count18
Rotatable Bond Count28
Heavy Atom Count88
Formal Charge0
Complexity2530
SMILES
C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCCNC2=CC=CC3=C2C=CC=C3S(=O)(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)C5=CC=C(C=C5)N=NC6=CC=C(C=C6)N(C)C
InChI
InChI=1S/C61H76N12O14S/c1-34(2)52(59(82)63-30-29-62-46-14-9-13-45-44(46)12-10-16-50(45)88(85,86)87)69-58(81)49-15-11-31-73(49)61(84)37(6)65-56(79)48(33-51(75)76)66-54(77)36(5)64-60(83)53(35(3)4)68-57(80)47(32-38-17-27-43(74)28-18-38)67-55(78)39-19-21-40(22-20-39)70-71-41-23-25-42(26-24-41)72(7)8/h9-10,12-14,16-28,34-37,47-49,52-53,62,74H,11,15,29-33H2,1-8H3,(H,63,82)(H,64,83)(H,65,79)(H,66,77)(H,67,78)(H,68,80)(H,69,81)(H,75,76)(H,85,86,87)/t36-,37-,47-,48-,49-,52-,53-/m0/s1
InChIKey
VOOSFUAACNZZDI-BSNYRHCXSA-N
Chemical Structure
2D Structure
2D structure of Dabcyl-YVADAPV-EDANS
CAS: 161877-70-9
CID: 20834272
Formula: C61H76N12O14S
MW: 1233.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1233.4
XLogP35.6
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count18
Rotatable Bond Count28
Exact Mass1232.53246632
Monoisotopic Mass1232.53246632
Topological Polar Surface Area384 Ų
Heavy Atom Count88
Formal Charge0
Complexity2530
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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HY-P2628Dabcyl-YVADAPV-EDANS
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HY-P10197DABCYL-VNLDAE-EDANS
HY-P4777Dabcyl-RGVVNASSRLA-Edans
HY-P5481-01DABCYL-LPETG-EDANS
P9733-25mgDabcyl-KTSAVLQSGFRKME-Edans
HY-P10196DABCYL-SEVNLDAEF-EDANS
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