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Caspase 1 Substrate 2m (ICE) fluorogenic

CAT: 1601-CCP2170-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:1601-CCP2170-01Size:1 mg
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Description
Peptide to Caspase 1 Substrate 2m (ICE) fluorogenic
CAS Number
149231-65-2
Structure Composition
Ac-Tyr-Val-Ala-Asp-AMC
Purity
> 95%
Form
Lyophilized powder
Molecular Formula
C33H39N5O10
Molecular Weight
665.7
Storage Conditions
Shipped at 4°C. Store at -20°C for one year.
Light Source
Synthetic

Chemical Information

Ac-YVAD-AMC
CAS Number149231-65-2
PubChem CID4337
IUPAC Name3-[2-[[2-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]propanoylamino]-4-[(4-methyl-2-oxochromen-7-yl)amino]-4-oxobutanoic acid
Molecular FormulaC33H39N5O10
Molecular Weight665.7
XLogP1.3
Topological Polar Surface Area229
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count14
Heavy Atom Count48
Formal Charge0
Complexity1260
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C(CC(=O)O)NC(=O)C(C)NC(=O)C(C(C)C)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C
InChI
InChI=1S/C33H39N5O10/c1-16(2)29(38-32(46)24(35-19(5)39)13-20-6-9-22(40)10-7-20)33(47)34-18(4)30(44)37-25(15-27(41)42)31(45)36-21-8-11-23-17(3)12-28(43)48-26(23)14-21/h6-12,14,16,18,24-25,29,40H,13,15H2,1-5H3,(H,34,47)(H,35,39)(H,36,45)(H,37,44)(H,38,46)(H,41,42)
InChIKey
YGLOALWHJIANIH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ac-YVAD-AMC
CAS: 149231-65-2
CID: 4337
Formula: C33H39N5O10
MW: 665.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight665.7
XLogP31.3
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count14
Exact Mass665.26969246
Monoisotopic Mass665.26969246
Topological Polar Surface Area229 Ų
Heavy Atom Count48
Formal Charge0
Complexity1260
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes