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Endomorphin-1

CAT: 0013-GTR19155621-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19155621-01Size:100 mg
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Description
Endomorphin 1 is a high affinity and selective agonist of the μ-opioid receptor and displays reasonable affinities for kappa3 binding sites (Ki: 20~30 nM) .
CAS Number
189388-22-5
Purity
>98% (HPLC)
Solubility
Water:24 mg/mL (39.3 mM; Need ultrasonic)
Smiles
C1C[C@H] (N (C1) C (=O) [C@H] (CC2=CC=C (C=C2) O) N) C (=O) N[C@@H] (CC3=CNC4=CC=CC=C43) C (=O) N[C@@H] (CC5=CC=CC=C5) C (=O) N
Molecular Formula
C34H38N6O5
Molecular Weight
610.67
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Endomorphin 1

L-Phenylalaninamide, L-tyrosyl-L-prolyl-L-tryptophyl- is an oligopeptide.

CAS Number189388-22-5
PubChem CID5311080
IUPAC Name(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
Molecular FormulaC34H38N6O5
Molecular Weight610.7
XLogP2.4
Topological Polar Surface Area184
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Heavy Atom Count45
Formal Charge0
Complexity1030
SMILES
C1C[C@H](N(C1)C(=O)[C@H](CC2=CC=C(C=C2)O)N)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N
InChI
InChI=1S/C34H38N6O5/c35-26(17-22-12-14-24(41)15-13-22)34(45)40-16-6-11-30(40)33(44)39-29(19-23-20-37-27-10-5-4-9-25(23)27)32(43)38-28(31(36)42)18-21-7-2-1-3-8-21/h1-5,7-10,12-15,20,26,28-30,37,41H,6,11,16-19,35H2,(H2,36,42)(H,38,43)(H,39,44)/t26-,28-,29-,30-/m0/s1
InChIKey
ZEXLJFNSKAHNFH-SYKYGTKKSA-N
Chemical Structure
2D Structure
2D structure of Endomorphin 1
CAS: 189388-22-5
CID: 5311080
Formula: C34H38N6O5
MW: 610.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight610.7
XLogP32.4
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Exact Mass610.29036833
Monoisotopic Mass610.29036833
Topological Polar Surface Area184 Ų
Heavy Atom Count45
Formal Charge0
Complexity1030
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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