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WF 10129

CAT: 0013-GTR19198525-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198525-02Size:50 mg
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Description
WF 10129
CAS Number
109075-64-1
Field of Research
Cell Biology, Signal Transduction
Smiles
CC (O) CCC (=O) CC (NC (C) C (=O) NC (Cc1ccc (O) cc1) C (O) =O) C (O) =O
Molecular Formula
C20H28N2O8
Molecular Weight
424.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

WF 10129

WF-10129 is a dipeptide.

CAS Number109075-64-1
PubChem CID3080984
IUPAC Name(2S,7S)-2-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-1-oxopropan-2-yl]amino]-7-hydroxy-4-oxooctanoic acid
Molecular FormulaC20H28N2O8
Molecular Weight424.4
XLogP-2.2
Topological Polar Surface Area173
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count13
Heavy Atom Count30
Formal Charge0
Complexity604
SMILES
C[C@@H](CCC(=O)C[C@@H](C(=O)O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O)O
InChI
InChI=1S/C20H28N2O8/c1-11(23)3-6-15(25)10-17(20(29)30)21-12(2)18(26)22-16(19(27)28)9-13-4-7-14(24)8-5-13/h4-5,7-8,11-12,16-17,21,23-24H,3,6,9-10H2,1-2H3,(H,22,26)(H,27,28)(H,29,30)/t11-,12-,16-,17-/m0/s1
InChIKey
VOFCPUVKMIAYMR-SYWGBEHUSA-N
Chemical Structure
2D Structure
2D structure of WF 10129
CAS: 109075-64-1
CID: 3080984
Formula: C20H28N2O8
MW: 424.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight424.4
XLogP3-2.2
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count13
Exact Mass424.18456586
Monoisotopic Mass424.18456586
Topological Polar Surface Area173 Ų
Heavy Atom Count30
Formal Charge0
Complexity604
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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