Azoenkephalin

CAT: 0013-GTR19195478-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19195478-02Size:50 mg

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Description

Azoenkephalin is a synthetic enkephalin analog featuring an azo bridge connecting its tyrosine and phenylalanine residues. This research chemical is used in vitro to study opioid receptor binding and signaling mechanisms, as well as in the development of photopharmacological tools for precise control of neural activity.

CAS Number

76995-89-6

Field of Research

Metabolism Research, Neuroscience, Pharmacology & Drug Discovery

Smiles

C (NC (CC (C) C) C (O) =O) (=O) C1CC=2C=CC (=CC2) N=NC=3C=C (CC (N) C (=O) NCC (=O) NCC (=O) N1) C=CC3O

Molecular Formula

C28H35N7O7

Molecular Weight

581.62

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Azoenkephalin

CAS Number	76995-89-6
PubChem CID	195981
IUPAC Name	2-amino-3-[3-[[4-[(2S)-2-amino-3-[[(2S)-1-[2-(2-iminoethylamino)acetyl]oxy-4-methyl-1-oxopent-3-en-2-yl]amino]-3-oxopropyl]phenyl]diazenyl]-4-hydroxyphenyl]propanoic acid
Molecular Formula	C28H35N7O7
Molecular Weight	581.6
XLogP	-0.7
Topological Polar Surface Area	243
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	17
Heavy Atom Count	42
Formal Charge	0
Complexity	993

SMILES

CC(=C[C@@H](C(=O)OC(=O)CNCC=N)NC(=O)[C@H](CC1=CC=C(C=C1)N=NC2=C(C=CC(=C2)CC(C(=O)O)N)O)N)C

InChI

InChI=1S/C28H35N7O7/c1-16(2)11-23(28(41)42-25(37)15-32-10-9-29)33-26(38)20(30)12-17-3-6-19(7-4-17)34-35-22-14-18(5-8-24(22)36)13-21(31)27(39)40/h3-9,11,14,20-21,23,29,32,36H,10,12-13,15,30-31H2,1-2H3,(H,33,38)(H,39,40)/t20-,21?,23-/m0/s1

InChIKey

VRKGDWIIAMEDKS-PDATXNNJSA-N

Chemical Structure

2D Structure

CAS: 76995-89-6

CID: 195981

Formula: C28H35N7O7

MW: 581.6

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	581.6
XLogP3	-0.7
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	17
Exact Mass	581.25979648
Monoisotopic Mass	581.25979648
Topological Polar Surface Area	243 Å²
Heavy Atom Count	42
Formal Charge	0
Complexity	993
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
MBS5779914	Azoenkephalin

Azoenkephalin

Chemical Information

Alternative Products

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