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Adrenorphin, Human

CAT: 1601-CCP1050-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:1601-CCP1050-01Size:1 mg
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Description
Peptide to Adrenorphin, Human
CAS Number
88377-68-8
Structure Composition
H-Tyr-Gly-Gly-Phe-Met-Arg-Arg-Val-NH2
Applications
Metorphamide, a C-terminally amidated octapeptide found in bovine brain and adrenal tissue, corresponds to residues 206-213 of the bovine proenkephalin precursor. It is also related in sequence to the bovine adrenal medulla peptides. So far, it is the only endogenous opioid peptide with high affinity for μ opioid receptors.
Purity
> 95%
Form
Lyophilized powder
Molecular Formula
C44H69N15O9S
Molecular Weight
984.2
Storage Conditions
Shipped at 4°C. Store at -20°C for one year.
Light Source
Synthetic

Chemical Information

Adrenorphin

opioid octapeptide from human & bovine adrenal medulla & human phaeochromocytoma tumor; H-Tyr-Gly-Gly-Phe-Met-Arg-Arg-Val-NH2

CAS Number88377-68-8
PubChem CID122176
IUPAC Name(2S)-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]-N-[(2R)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-5-(diaminomethylideneamino)pentanamide
Molecular FormulaC44H69N15O9S
Molecular Weight984.2
XLogP-1.9
Topological Polar Surface Area447
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count13
Rotatable Bond Count31
Heavy Atom Count69
Formal Charge0
Complexity1730
SMILES
CC(C)[C@@H](C(=O)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@H](CC2=CC=C(C=C2)O)N
InChI
InChI=1S/C44H69N15O9S/c1-25(2)36(37(46)63)59-41(67)31(12-8-19-52-44(49)50)57-39(65)30(11-7-18-51-43(47)48)56-40(66)32(17-20-69-3)58-42(68)33(22-26-9-5-4-6-10-26)55-35(62)24-53-34(61)23-54-38(64)29(45)21-27-13-15-28(60)16-14-27/h4-6,9-10,13-16,25,29-33,36,60H,7-8,11-12,17-24,45H2,1-3H3,(H2,46,63)(H,53,61)(H,54,64)(H,55,62)(H,56,66)(H,57,65)(H,58,68)(H,59,67)(H4,47,48,51)(H4,49,50,52)/t29-,30-,31+,32-,33-,36-/m0/s1
InChIKey
XJOQRTJDYAHKPY-YVWIMRNGSA-N
Chemical Structure
2D Structure
2D structure of Adrenorphin
CAS: 88377-68-8
CID: 122176
Formula: C44H69N15O9S
MW: 984.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight984.2
XLogP3-1.9
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count13
Rotatable Bond Count31
Exact Mass983.51234001
Monoisotopic Mass983.51234001
Topological Polar Surface Area447 Ų
Heavy Atom Count69
Formal Charge0
Complexity1730
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes