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Z-VAD-FMK

CAT: 0127-BIBA1001-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BIBA1001-01Size:5 mg
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CAS Number
220644-02-0
Synonyms
Z-Val-Ala-DL-Asp-fluoromethylketone
MDL Number
MFCD06795862
Smiles
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(=O)O)C(=O)CF
Additionnal Information
Store at -20°C
Storage Conditions
Store at -20°C

Chemical Information

Z-Val-Ala-DL-Asp-Fluoromethylketone
CAS Number220644-02-0
PubChem CID5497170
IUPAC Name5-fluoro-3-[[(2S)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoyl]amino]-4-oxopentanoic acid
Molecular FormulaC21H28FN3O7
Molecular Weight453.5
XLogP1.6
Topological Polar Surface Area151
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Heavy Atom Count32
Formal Charge0
Complexity680
SMILES
C[C@@H](C(=O)NC(CC(=O)O)C(=O)CF)NC(=O)[C@H](C(C)C)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C21H28FN3O7/c1-12(2)18(25-21(31)32-11-14-7-5-4-6-8-14)20(30)23-13(3)19(29)24-15(9-17(27)28)16(26)10-22/h4-8,12-13,15,18H,9-11H2,1-3H3,(H,23,30)(H,24,29)(H,25,31)(H,27,28)/t13-,15?,18-/m0/s1
InChIKey
SUUHZYLYARUNIA-LWSHRDBSSA-N
Chemical Structure
2D Structure
2D structure of Z-Val-Ala-DL-Asp-Fluoromethylketone
CAS: 220644-02-0
CID: 5497170
Formula: C21H28FN3O7
MW: 453.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight453.5
XLogP31.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Exact Mass453.19112840
Monoisotopic Mass453.19112840
Topological Polar Surface Area151 Ų
Heavy Atom Count32
Formal Charge0
Complexity680
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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