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Ac-YVAD-CHO 25mg

CAT: 0628-A22867-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A22867-25Size:25 mg
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CAS Number
143313-51-3

Chemical Information

L 709049

a reversible interleukin-1beta-converting enzyme inhibitor

CAS Number143313-51-3
PubChem CID5311139
IUPAC Name(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-4-oxobutanoic acid
Molecular FormulaC23H32N4O8
Molecular Weight492.5
XLogP-0.8
Topological Polar Surface Area191
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Heavy Atom Count35
Formal Charge0
Complexity779
SMILES
C[C@@H](C(=O)N[C@@H](CC(=O)O)C=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)C
InChI
InChI=1S/C23H32N4O8/c1-12(2)20(23(35)24-13(3)21(33)26-16(11-28)10-19(31)32)27-22(34)18(25-14(4)29)9-15-5-7-17(30)8-6-15/h5-8,11-13,16,18,20,30H,9-10H2,1-4H3,(H,24,35)(H,25,29)(H,26,33)(H,27,34)(H,31,32)/t13-,16-,18-,20-/m0/s1
InChIKey
LPIARALSGDVZEP-SJVNDZIOSA-N
Chemical Structure
2D Structure
2D structure of L 709049
CAS: 143313-51-3
CID: 5311139
Formula: C23H32N4O8
MW: 492.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight492.5
XLogP3-0.8
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Exact Mass492.22201399
Monoisotopic Mass492.22201399
Topological Polar Surface Area191 Ų
Heavy Atom Count35
Formal Charge0
Complexity779
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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