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Endomorphin-1

CAT: 0607-A1013-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-A1013-25Size:25 mg
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Description
Agonist of μopioid receptors,highly potent and selective
CAS Number
189388-22-5
Product Name Alternative
(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
Sequence
Tyr-Pro-Trp-Phe
Field of Research
Neuroscience Neuroscience Peptides Cardiovascular Obesity Appetite Control & Diabetes Other Signal Transduction
Purity
0.9879
Form
A solid
Solubility
≥14.9 mg/mL in H2O; ≥30.55 mg/mL in DMSO; ≥47 mg/mL in EtOH
Smiles
C1CC(N(C1)C(=O)C(CC2=CC=C(C=C2)O)N)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CC5=CC=CC=C5)C(=O)N
Molecular Formula
C34H38N6O5
Molecular Weight
610.67
Shipping Conditions
Blue ice
Storage Conditions
Desiccate at -20°C.

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...
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