2-amino-N-[1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide
Basic information
- CAS
118476-87-2- Standard SMILES
CC(NC(=O)C(N)Cc1ccc(O)cc1)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(N)=O- InChIKey
MVUYXNQARFGHMJ-UHFFFAOYSA-N- Molecular formula
- C30H35N5O5
- Average molar mass
- 545.6 g/mol
- Monoisotopic mass
- 545.26381923
Names & identifiers
- Preferred name
- 2-amino-N-[1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide
- IUPAC
- 2-amino-N-[1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide
- English name
- (Phe4)-dermorphin (1-4) amide
- Molecular formula
- C30H35N5O5
- Molecular weight
- 545.63
Names & synonyms
(Phe4)-Dermorphin (1-4) amide118476-87-22-amino-N-[1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamideH-Tyr-D-Ala-Phe-Phe-NH2H-Y(dA)FF-NH2DTXSID30404532(PHE4)-DERMORPHIN(1-4)AMIDETyrosylalanylphenylalanylphenylalaninamideFP110359TAPPTYR-D-ALA-PHE-PHE-NH2TAPP, Tyr-D-Ala-Phe-Phe-NH2
Show more names
DERMORPHIN [PHE4]-FRAGMENT 1-4 AMIDE(phe4)-dermorphin fragment 1-4 amide(Phe4)-Dermorphin (1-4) Amide H-Tyr-D-Ala-Phe-Phe-NH2L-Phenylalaninamide, L-tyrosyl-D-alanyl-L-phenylalanyl-1,3-Bis(4-amidinophenoxy)-2,2-bis[(4-amidinophenoxy)methyl]propane
Database identifiers
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 177 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 834
Physicochemical properties
- Boiling point
- 970.7 · 970.7±65.0 °C(Predicted)
- Density
- 1.266 · 1.266±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- pka
- 9.97 · 9.97±0.15(Predicted)
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
Chemistry & industry
Applications
Uses(Phe4)-Dermorphin (1-4) Amide H-Tyr-D-Ala-Phe-Phe-NH2 is opioid peptide analogs δ antagonist and μ agonist activity in relation to structure.
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Compound notes
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