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ERKtide

CAT: 0931-TP2573-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TP2573-02Size:50 mg
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CAS Number
287721-17-9
Target
ERK
Related Pathways
MAPK
Bioactivity
ERKtide is a biologically active peptide and a substrate for Extracellular regulated protein kinase 2 (ERK2), a eukaryotic protein kinase regulated by mitogenic stimuli.
Smiles
C([C@@H](NC([C@@H](NC(=O)[C@H]1N(C(CNC([C@@H](NC([C@H](C)N)=O)[C@@H](C)O)=O)=O)CCC1)CC(C)C)=O)CO)(=O)N2[C@H](C(NCC(=O)N3[C@H](C(N[C@@H](CC4=CC=CC=C4)C(NCC(N[C@H](C(N[C@@H](CCCNC(=N)N)C(O)=O)=O)CCCNC(=N)N)=O)=O)=O)CCC3)=O)CCC2
Molecular Formula
C58H93N19O16
Molecular Weight
1312.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

ERKtide
CAS Number287721-17-9
PubChem CID168510724
IUPAC Name(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S,3R)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular FormulaC58H93N19O16
Molecular Weight1312.5
XLogP-7.5
Topological Polar Surface Area555
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count19
Rotatable Bond Count36
Heavy Atom Count93
Formal Charge0
Complexity2690
SMILES
C[C@H]([C@@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)NCC(=O)N3CCC[C@H]3C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](C)N)O
InChI
InChI=1S/C58H93N19O16/c1-31(2)25-37(71-52(88)41-18-10-23-76(41)45(82)29-68-54(90)46(33(4)79)74-47(83)32(3)59)50(86)73-39(30-78)55(91)77-24-12-17-40(77)51(87)67-28-44(81)75-22-11-19-42(75)53(89)72-38(26-34-13-6-5-7-14-34)48(84)66-27-43(80)69-35(15-8-20-64-57(60)61)49(85)70-36(56(92)93)16-9-21-65-58(62)63/h5-7,13-14,31-33,35-42,46,78-79H,8-12,15-30,59H2,1-4H3,(H,66,84)(H,67,87)(H,68,90)(H,69,80)(H,70,85)(H,71,88)(H,72,89)(H,73,86)(H,74,83)(H,92,93)(H4,60,61,64)(H4,62,63,65)/t32-,33+,35-,36-,37-,38-,39-,40-,41-,42-,46-/m0/s1
InChIKey
GVQSPUWQYAREMP-YZBIGILASA-N
Chemical Structure
2D Structure
2D structure of ERKtide
CAS: 287721-17-9
CID: 168510724
Formula: C58H93N19O16
MW: 1312.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1312.5
XLogP3-7.5
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count19
Rotatable Bond Count36
Exact Mass1311.70476796
Monoisotopic Mass1311.70476796
Topological Polar Surface Area555 Ų
Heavy Atom Count93
Formal Charge0
Complexity2690
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
5-01117ERKtide
PE-86711-01Erktide Peptide
CRB1000704-01ERKtide acid
CRB1000600-01ERKtide amide
CRB1100601-01[5-FAM]-ERKtide
CRB1100601-01[5-FAM]-ERKtide - (Fluorescent Peptides)
SP-86711-1ERKtide (AA: Ala-Thr-Gly-Pro-Leu-Ser-Pro-Gly-Pro-Phe-Gly-Arg-Arg) (MW: 1312.51)

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