Enkephalin, 2,6-dimethyl-tyr(1)-pen(2,5)-
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Basic information
- CAS
137666-07-0- Standard SMILES
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N(C(=O)[C@H](Cc1ccccc1)NC(=O)C=NC(=O)[C@H](N)C(C)(C)S)[C@@H](C(=O)O)C(C)(C)S- InChIKey
XHTYMHDIUZJVOV-LCGRTSHQSA-N- Molecular formula
- C32H43N5O7S2
- Average molar mass
- 673.8 g/mol
- Monoisotopic mass
- 673.26039107
Names & identifiers
- Preferred name
- Enkephalin, 2,6-dimethyl-tyr(1)-pen(2,5)-
- IUPAC
- (2S)-2-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]-[(2S)-2-[[2-[(2S)-2-amino-3-methyl-3-sulfanylbutanoyl]iminoacetyl]amino]-3-phenylpropanoyl]amino]-3-methyl-3-sulfanylbutanoic acid
- English name
- enkephalin, 2,6-dimethyl-Tyr(1)-Pen(2,5)-
- Molecular formula
- C32H43N5O7S2
- Molecular weight
- 673.85
Names & synonyms
2,6-DpdpeEnkephalin, 2,6-dimethyl-tyr(1)-pen(2,5)-137666-07-02,6-Dimethyl-tyr(1)-pen(2,5)-enkephalinEnkephalin, 2,6-dimethyl-tyrosyl(1)-penicillaminyl(2,5)-D-Valine, 2,6-dimethyl-L-tyrosyl-3-mercapto-D-valylglycyl-L-phenylalanyl-3-mercapto-, cyclic (2-5)-disulfide
Database identifiers
- CAS
137666-07-0- PubChem CID
- 196892
Properties
Computed structural propertiesFilling in
- XLogP
- 0.5
- Topological polar surface area
- 207 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 13
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,130
Physicochemical properties
- Boiling point
- 1046.649 · 1046.649±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.356 · 1.356±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.974 · 2.974±0.70(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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