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[pTyr5] EGFR (988-993)

CAT: 0931-TP1613-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-TP1613-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
159453-08-4
Target
Phosphatase
Related Pathways
Metabolism
Bioactivity
[pTyr5] EGFR (988-993) is a compound derived from the auto-phosphorylation site Tyr992 in the epidermal growth factor receptor (EGFR 988-993), and it is often associated with the catalytically inactive protein-tyrosine phosphatase 1B (PTP1B) .
Smiles
[C@@H](CC1=CC=C(OP(=O)(O)O)C=C1)(NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CC(O)=O)N)=O)C)=O)CC(O)=O)=O)CCC(O)=O)=O)C(N[C@@H](CC(C)C)C(O)=O)=O
Molecular Formula
C31H45N6O17P
Molecular Weight
804.69
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

[pTyr5] EGFR (988-993)
CAS Number159453-08-4
PubChem CID134826780
IUPAC Name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]propanoyl]amino]-3-carboxypropanoyl]amino]-4-carboxybutanoyl]amino]-3-(4-phosphonooxyphenyl)propanoyl]amino]-4-methylpentanoic acid
Molecular FormulaC31H45N6O17P
Molecular Weight804.7
XLogP-5.3
Topological Polar Surface Area387
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count18
Rotatable Bond Count24
Heavy Atom Count55
Formal Charge0
Complexity1460
SMILES
C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)OP(=O)(O)O)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CC(=O)O)N
InChI
InChI=1S/C31H45N6O17P/c1-14(2)10-22(31(49)50)37-29(47)20(11-16-4-6-17(7-5-16)54-55(51,52)53)36-28(46)19(8-9-23(38)39)34-30(48)21(13-25(42)43)35-26(44)15(3)33-27(45)18(32)12-24(40)41/h4-7,14-15,18-22H,8-13,32H2,1-3H3,(H,33,45)(H,34,48)(H,35,44)(H,36,46)(H,37,47)(H,38,39)(H,40,41)(H,42,43)(H,49,50)(H2,51,52,53)/t15-,18-,19-,20-,21-,22-/m0/s1
InChIKey
KVTXKWFVCLLHQU-TVVJCWKZSA-N
Chemical Structure
2D Structure
2D structure of [pTyr5] EGFR (988-993)
CAS: 159453-08-4
CID: 134826780
Formula: C31H45N6O17P
MW: 804.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight804.7
XLogP3-5.3
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count18
Rotatable Bond Count24
Exact Mass804.25788099
Monoisotopic Mass804.25788099
Topological Polar Surface Area387 Ų
Heavy Atom Count55
Formal Charge0
Complexity1460
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS5789325[pTyr5] EGFR (988-993)
M30312[pTyr5] EGFR 988-993
GTR19036449-01[pTyr5] EGFR (988-993) (TFA)
MBS5817922[pTyr5] EGFR (988-993)(TFA)
MBS659940-01Epidermal Growth Factor Receptor (erbB, EGFR) (988-993) (phosphorylated) (human)
GTR18901516-01EGF Receptor (988-993) (phosphorylated)
H-2702.0001EGF Receptor (988-993) (phosphorylated) (human)
E-PP-1079-01EGF Receptor (988-993) (phosphorylated), human
PE-100295-01EGF Receptor (988-993) (Phosphorylated) (Human) Peptide
GTR18890693Human EGF Receptor (988-993) (phosphorylated) peptide

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