Basic information
- CAS
74604-22-1- Standard SMILES
CN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CO)C(=O)NCC(=O)NC(=O)[C@@H](CO)NC(=O)[C@H](Cc1ccccc1)NC- InChIKey
XFONSTUJPRIGMJ-MYDTUXCISA-N- Molecular formula
- C28H38N6O8
- Average molar mass
- 586.6 g/mol
- Monoisotopic mass
- 586.27511219
Overview
enkephalin-like activity modifies behavior in rats; RN given refers to (L-Tyr-D-Ser-Gly-L-Phe)-isomer
Names & identifiers
- Preferred name
- Wy 42896
- IUPAC
- (2S)-N-[(2R)-3-hydroxy-1-[[2-[[(2R)-3-hydroxy-2-[[(2S)-3-(4-hydroxyphenyl)-2-(methylamino)propanoyl]amino]propanoyl]amino]acetyl]amino]-1-oxopropan-2-yl]-2-(methylamino)-3-phenylpropanamide
Names & synonyms
Wy 42896Wy-42,89674604-22-1DTXSID30225582RefChem:195060DTXCID60148073Wy-42896N-Me-Tyr-D-ser-gly-N-Me-phe-D-ser-NH2D-Serinamide, N-methyl-L-tyrosyl-D-serylglycyl-N-methyl-L-phenylalanyl-N-methyl-L-tyrosyl-D-seryl-N-{(2R)-3-hydroxy-2-[(N-methyl-L-phenylalanyl)amino]propanoyl}glycinamide
Database identifiers
- CAS
74604-22-1- PubChem CID
- 173296
- DTXSID
DTXSID30225582
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 218 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 16
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 892
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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