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[Des-Tyr1]- g-Endorphin

CAT: 1410-M41100Size: 1 EachDry Ice: NoHazardous: No
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Description
[Des-Tyr1]-gamma-Endorphin is a neuropeptide, which can be found in human cerebrospinal fluid. [Des-Tyr1]-gamma-Endorphin exhibits antidepressant efficacy, facilitates the extinction of active avoidance and attenuates the passive avoidance behavior in rats.
CAS Number
67810-56-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
1695.97
Molecular Formula
C74H122N18O25S
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

gamma-endorphin, des-Tyr(1)-
CAS Number67810-56-4
PubChem CID3035192
IUPAC Name(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoic acid
Molecular FormulaC74H122N18O25S
Molecular Weight1695.9
XLogP-9.6
Topological Polar Surface Area724
Hydrogen Bond Donor Count24
Hydrogen Bond Acceptor Count28
Rotatable Bond Count55
Heavy Atom Count118
Formal Charge0
Complexity3390
SMILES
C[C@H]([C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CNC(=O)CN)O
InChI
InChI=1S/C74H122N18O25S/c1-36(2)29-47(66(108)88-57(38(5)6)70(112)90-59(40(8)96)71(113)85-49(74(116)117)30-37(3)4)84-69(111)52-20-16-27-92(52)73(115)60(41(9)97)91-63(105)44(21-23-53(77)98)81-67(109)50(34-93)86-61(103)43(19-14-15-26-75)80-62(104)45(22-24-56(101)102)82-68(110)51(35-94)87-72(114)58(39(7)95)89-64(106)46(25-28-118-10)83-65(107)48(31-42-17-12-11-13-18-42)79-55(100)33-78-54(99)32-76/h11-13,17-18,36-41,43-52,57-60,93-97H,14-16,19-35,75-76H2,1-10H3,(H2,77,98)(H,78,99)(H,79,100)(H,80,104)(H,81,109)(H,82,110)(H,83,107)(H,84,111)(H,85,113)(H,86,103)(H,87,114)(H,88,108)(H,89,106)(H,90,112)(H,91,105)(H,101,102)(H,116,117)/t39-,40-,41-,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,57+,58+,59+,60+/m1/s1
InChIKey
YQEWLSJJOSZFHG-DSFKZNPVSA-N
Chemical Structure
2D Structure
2D structure of gamma-endorphin, des-Tyr(1)-
CAS: 67810-56-4
CID: 3035192
Formula: C74H122N18O25S
MW: 1695.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1695.9
XLogP3-9.6
Hydrogen Bond Donor Count24
Hydrogen Bond Acceptor Count28
Rotatable Bond Count55
Exact Mass1694.85492262
Monoisotopic Mass1694.85492262
Topological Polar Surface Area724 Ų
Heavy Atom Count118
Formal Charge0
Complexity3390
Isotope Atom Count0
Defined Atom Stereocenter Count17
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CCP1516-01[Des-Tyr1]-Beta-Endorphin (Human)
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