beta-Casomorphin 4
Basic information
- CAS
74171-19-0- Standard SMILES
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O- InChIKey
DCGNJQAPLOBXDM-ZJZGAYNASA-N- Molecular formula
- C28H34N4O6
- Average molar mass
- 522.6 g/mol
- Monoisotopic mass
- 522.24783482
Names & identifiers
- Preferred name
- beta-Casomorphin 4
- IUPAC
- (2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid
- English name
- beta-Casomorphin (1-4) (bovine)
- Molecular formula
- C28H34N4O6
- Molecular weight
- 522.59
Names & synonyms
beta-Casomorphin 474171-19-0Tyr-pro-phe-proTyrosyl-prolyl-phenylalanyl-prolineDTXSID70225142RefChem:119226DTXCID70147633(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylic acidL-tyrosyl-L-prolyl-L-phenylalanyl-L-prolineBeta-Casomorphin (1-4) (bovine) acetate saltBETA-CASOMORPHIN (1-4) (BOVINE)beta-Casomorphin 4 (ox)
Show more names
β-Casomorphin-4L-TYR-PRO-PHE-PROBETA CASOMORPHIN 1-4H-TYR-PRO-PHE-PRO-OHb-Casomorphin (1-4), bovineβ-Casomorphin (1-4) (bovine)β-Casomorphin (1-4) (bovine)
orb17025041-(N-(1-L-Tyrosyl-L-prolyl)-L-phenylalanyl)-L-prolineSCHEMBL29368129AKOS040746618FC108656T25147L-Proline, 1-(N-(1-L-tyrosyl-L-prolyl)-L-phenylalanyl)-
Database identifiers
- CAS
74171-19-0- PubChem CID
- 173253
- DTXSID
DTXSID70225142- Nikkaji
- J39.394K
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 854
Physicochemical properties
- Boiling point
- 895.3 · 895.3±65.0 °C(Predicted)
- Density
- 1.351 · 1.351±0.06 g/cm3(Predicted)
- storage temp.
- -15 °C · -15°C
- form
- Solid
- pka
- 3.42 · 3.42±0.20(Predicted)
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Compound notes
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