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PKCδ Peptide Substrate

CAT: 0931-T76412-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T76412-01Size:5 mg
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CAS Number
813416-46-5
Target
PKC
Related Pathways
Chromatin/Epigenetic, Cytoskeletal Signaling
Bioactivity
PKCδ Peptide Substrate is a highly specific substrate for the δ-type of Protein kinase C, composed of a sequence that mirrors murine eEF-1α (422-443) and includes Thr-431 [1].
Smiles
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCNC(N)=N)C(C)C)[C@@H](C)O)C(C)C)C(C)C)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(O)=O
Molecular Formula
C109H191N35O29S
Molecular Weight
2487.97
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

H-Arg-Phe-Ala-Val-Arg-Asp-Met-Arg-Gln-Thr-Val-Ala-Val-Gly-Val-Ile-Lys-Ala-Val-Asp-Lys-Lys-OH
CAS Number813416-46-5
PubChem CID171361030
IUPAC Name(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-carboxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]hexanoic acid
Molecular FormulaC109H191N35O29S
Molecular Weight2488.0
XLogP-11.6
Topological Polar Surface Area1100
Hydrogen Bond Donor Count39
Hydrogen Bond Acceptor Count37
Rotatable Bond Count90
Heavy Atom Count174
Formal Charge0
Complexity5340
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCCNC(=N)N)N
InChI
InChI=1S/C109H191N35O29S/c1-18-58(12)84(104(170)133-65(34-22-25-42-110)90(156)125-59(13)86(152)141-83(57(10)11)102(168)137-74(51-78(150)151)98(164)129-66(35-23-26-43-111)92(158)134-71(106(172)173)36-24-27-44-112)143-103(169)80(54(4)5)138-76(147)52-124-99(165)79(53(2)3)139-88(154)61(15)127-100(166)81(55(6)7)142-105(171)85(62(16)145)144-95(161)69(39-40-75(114)146)130-91(157)67(37-29-46-122-108(117)118)128-94(160)70(41-48-174-17)131-97(163)73(50-77(148)149)136-93(159)68(38-30-47-123-109(119)120)132-101(167)82(56(8)9)140-87(153)60(14)126-96(162)72(49-63-31-20-19-21-32-63)135-89(155)64(113)33-28-45-121-107(115)116/h19-21,31-32,53-62,64-74,79-85,145H,18,22-30,33-52,110-113H2,1-17H3,(H2,114,146)(H,124,165)(H,125,156)(H,126,162)(H,127,166)(H,128,160)(H,129,164)(H,130,157)(H,131,163)(H,132,167)(H,133,170)(H,134,158)(H,135,155)(H,136,159)(H,137,168)(H,138,147)(H,139,154)(H,140,153)(H,141,152)(H,142,171)(H,143,169)(H,144,161)(H,148,149)(H,150,151)(H,172,173)(H4,115,116,121)(H4,117,118,122)(H4,119,120,123)/t58-,59-,60-,61-,62+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,79-,80-,81-,82-,83-,84-,85-/m0/s1
InChIKey
WFINYYVNOFQKBK-CEZQXKOLSA-N
Chemical Structure
2D Structure
2D structure of H-Arg-Phe-Ala-Val-Arg-Asp-Met-Arg-Gln-Thr-Val-Ala-Val-Gly-Val-Ile-Lys-Ala-Val-Asp-Lys-Lys-OH
CAS: 813416-46-5
CID: 171361030
Formula: C109H191N35O29S
MW: 2488.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight2488.0
XLogP3-11.6
Hydrogen Bond Donor Count39
Hydrogen Bond Acceptor Count37
Rotatable Bond Count90
Exact Mass2487.4301212
Monoisotopic Mass2486.4267664
Topological Polar Surface Area1100 Ų
Heavy Atom Count174
Formal Charge0
Complexity5340
Isotope Atom Count0
Defined Atom Stereocenter Count23
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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