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Α-Endorphin

CAT: 0121-4009491.0005Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0121-4009491.0005Size:5 mg
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CAS Number
59004-96-5
Specifications
H-2695.0005
Synonyms
Β-Lipotropin (59-74) (human) β-Endorphin (1-16)
Sequence
H-Tyr-Gly-Gly-Phe-Met-Thr-Ser-Glu-Lys-Ser-Gln-Thr-Pro-Leu-Val-Thr-OH
Molecular Formula
C₇₇H₁₂₀N₁₈O₂₆S
Molecular Weight
1745.97
Shipping Conditions
Ambient Temperature
Storage Temperature
< -15°C

Chemical Information

Alpha-Endorphin

An endogenous opioid peptide derived from BETA-LIPOTROPIN of the pro-opiomelanocortin (POMC) system. It is the 16-amino acid sequence of the N-terminal of BETA-ENDORPHIN and differs from GAMMA-ENDORPHIN by one amino acid (beta-endorphin 1-17).

CAS Number59004-96-5
PubChem CID16138308
IUPAC Name(4S)-5-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S,3R)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoic acid
Molecular FormulaC77H120N18O26S
Molecular Weight1745.9
XLogP-9.7
Topological Polar Surface Area744
Hydrogen Bond Donor Count25
Hydrogen Bond Acceptor Count29
Rotatable Bond Count55
Heavy Atom Count122
Formal Charge0
Complexity3520
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)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CNC(=O)CNC(=O)[C@H](CC3=CC=C(C=C3)O)N)O
InChI
InChI=1S/C77H120N18O26S/c1-38(2)31-51(70(113)91-60(39(3)4)74(117)94-63(42(7)100)77(120)121)88-73(116)55-18-14-29-95(55)76(119)62(41(6)99)93-67(110)48(23-25-56(80)102)85-71(114)53(36-96)89-65(108)47(17-12-13-28-78)84-66(109)49(24-26-59(105)106)86-72(115)54(37-97)90-75(118)61(40(5)98)92-68(111)50(27-30-122-8)87-69(112)52(33-43-15-10-9-11-16-43)83-58(104)35-81-57(103)34-82-64(107)46(79)32-44-19-21-45(101)22-20-44/h9-11,15-16,19-22,38-42,46-55,60-63,96-101H,12-14,17-18,23-37,78-79H2,1-8H3,(H2,80,102)(H,81,103)(H,82,107)(H,83,104)(H,84,109)(H,85,114)(H,86,115)(H,87,112)(H,88,116)(H,89,108)(H,90,118)(H,91,113)(H,92,111)(H,93,110)(H,94,117)(H,105,106)(H,120,121)/t40-,41-,42-,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+,60+,61+,62+,63+/m1/s1
InChIKey
NXSIJWJXMWBCBX-NWKQFZAZSA-N
Chemical Structure
2D Structure
2D structure of Alpha-Endorphin
CAS: 59004-96-5
CID: 16138308
Formula: C77H120N18O26S
MW: 1745.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1745.9
XLogP3-9.7
Hydrogen Bond Donor Count25
Hydrogen Bond Acceptor Count29
Rotatable Bond Count55
Exact Mass1744.83418718
Monoisotopic Mass1744.83418718
Topological Polar Surface Area744 Ų
Heavy Atom Count122
Formal Charge0
Complexity3520
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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Alternative Products

CatalogName
E2300-04Bβ-Endorphin (Beta-endorphin, Endorphin beta)
MBS6005849-01a-Endorphin, Neo (Alpha-endorphin, Endorphin alpha)
MBS6000659-01b-Endorphin (Beta-endorphin, Endorphin beta)
E2300-01Dβ-Endorphin (Beta-endorphin, Endorphin beta) (Not for Export EU)
E9025-03PEndorphin, beta (Beta-Endorphin)
VAC-00884-01δ-Endorphin
GTR19068510-01α-Endorphin
E-PP-0510-01Γ-Endorphin
E2300-30β-Endorphin
5-00511δ–Endorphin

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