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LRRKtide

CAT: 0931-TP3515-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TP3515-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1071466-49-3
Target
Others
Related Pathways
Others
Bioactivity
LRRKtide serves as a substrate for LRRK kinase.
Smiles
[C@@H](CC1=CC=C(O)C=C1)(NC([C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@H](CCCNC(=N)N)N)=O)CC(C)C)=O)=O)CCCNC(=N)N)=O)CC(O)=O)=O)CCCCN)=O)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CCC(N)=O)C(O)=O)=O)CCCNC(=N)N)=O)[C@H](CC)C)=O)CCC(N)=O)=O)CCCNC(=N)N)=O)CC(C)C)=O)[C@@H](C)O)=O)CCCCN)=O
Molecular Formula
C83H147N31O22
Molecular Weight
1931.25
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

LRRKtide
CAS Number1071466-49-3
PubChem CID169450739
IUPAC Name(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoic acid
Molecular FormulaC83H147N31O22
Molecular Weight1931.3
XLogP-11.6
Topological Polar Surface Area934
Hydrogen Bond Donor Count35
Hydrogen Bond Acceptor Count29
Rotatable Bond Count74
Heavy Atom Count136
Formal Charge0
Complexity3950
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)N
InChI
InChI=1S/C83H147N31O22/c1-8-44(6)64(77(133)107-53(22-16-36-100-83(95)96)70(126)108-55(79(135)136)28-30-61(88)118)113-73(129)54(27-29-60(87)117)106-69(125)52(21-15-35-99-82(93)94)105-74(130)57(38-43(4)5)112-78(134)65(45(7)115)114-72(128)51(19-10-12-32-85)104-75(131)58(39-46-23-25-47(116)26-24-46)110-71(127)50(18-9-11-31-84)103-76(132)59(40-63(120)121)111-68(124)49(20-14-34-98-81(91)92)102-62(119)41-101-67(123)56(37-42(2)3)109-66(122)48(86)17-13-33-97-80(89)90/h23-26,42-45,48-59,64-65,115-116H,8-22,27-41,84-86H2,1-7H3,(H2,87,117)(H2,88,118)(H,101,123)(H,102,119)(H,103,132)(H,104,131)(H,105,130)(H,106,125)(H,107,133)(H,108,126)(H,109,122)(H,110,127)(H,111,124)(H,112,134)(H,113,129)(H,114,128)(H,120,121)(H,135,136)(H4,89,90,97)(H4,91,92,98)(H4,93,94,99)(H4,95,96,100)/t44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,64-,65-/m0/s1
InChIKey
MBUGSPDELVYCJP-JVMUIATRSA-N
Chemical Structure
2D Structure
2D structure of LRRKtide
CAS: 1071466-49-3
CID: 169450739
Formula: C83H147N31O22
MW: 1931.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1931.3
XLogP3-11.6
Hydrogen Bond Donor Count35
Hydrogen Bond Acceptor Count29
Rotatable Bond Count74
Exact Mass1930.1336954
Monoisotopic Mass1930.1336954
Topological Polar Surface Area934 Ų
Heavy Atom Count136
Formal Charge0
Complexity3950
Isotope Atom Count0
Defined Atom Stereocenter Count16
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS516465-01LRRKtide
CRB1000258-01LRRKtide amide
GTR19061640-01LRRKtide TFA
BML-P268-0001LRRKtide (biotinylated)
CRB1000466-01Phosphorylated LRRKtide
CRB1000328-01LRRKtide - (Neuroscience Peptides)

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