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154674-81-4

154674-81-4 structural image
Product Name: AC-YVAD-2,6-DIMETHYLBENZOYLOXYMETHYLKETONE
Formula: C33H42N4O10
Synonyms: Caspase-1 Inhibitor IV - CAS 154674-81-4 - Calbiochem;ICE Inhibitor IV, Ac-YVAD-AOM
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COMPUTED DESCRIPTORS

Molecular Weight 654.7 g/mol
XLogP3 2.6
Hydrogen Bond Donor Count 6
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 17
Exact Mass 654.29009355 g/mol
Monoisotopic Mass 654.29009355 g/mol
Topological Polar Surface Area 217 Ų
Heavy Atom Count 47
Formal Charge 0
Complexity 1130
Isotope Atom Count 0
Defined Atom Stereocenter Count 4
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes