EK 209
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Basic information
- CAS
72732-46-8- Standard SMILES
CCC(=O)NNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1- InChIKey
ZFHKRQYRRKRWTH-WTNAPCKOSA-N- Molecular formula
- C27H36N6O6
- Average molar mass
- 540.6 g/mol
- Monoisotopic mass
- 540.26963289
Overview
RN given refers to parent compound
Names & identifiers
- Preferred name
- EK 209
- IUPAC
- (2S)-2-amino-3-(4-hydroxyphenyl)-N-[(2R)-1-[[2-[methyl-[(2S)-1-oxo-3-phenyl-1-(2-propanoylhydrazinyl)propan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]propanamide
- English name
- EK 209
- Molecular formula
- C27H36N6O6
- Molecular weight
- 540.61134
Names & synonyms
EK 20972732-46-8Tyr-ala-gly-mephe-nhnhcoch2CH3EK-209RefChem:136411Tyrosyl-alanyl-glycyl-methylphenylalanine-2-(1-oxopropyl)hydrazideL-Phenylalanine, N-methyl-N-(N-(N-L-tyrosyl-D-alanyl)glycyl)-, 2-(1-oxopropyl)hydrazide(2S)-2-amino-3-(4-hydroxyphenyl)-N-[(2R)-1-[[2-[methyl-[(2S)-1-oxo-3-phenyl-1-(2-propanoylhydrazinyl)propan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]propanamideorb1697329DTXSID80993547AKOS040751667(S)-2-amino-3-(4-hydroxyphenyl)-N-((R)-1-((2-(methyl((S)-1-oxo-3-phenyl-1-(2-propionylhydrazinyl)propan-2-yl)amino)-2-oxoethyl)amino)-1-oxopropan-2-yl)propanamide
Show more names
T31610(2S)-2-Amino-N-[(2R)-1-hydroxy-1-({2-[{(2S)-1-hydroxy-1-[(1-hydroxypropylidene)hydrazinylidene]-3-phenylpropan-2-yl}(methyl)amino]-2-oxoethyl}imino)propan-2-yl]-3-(4-hydroxyphenyl)propanimidic acid2-Amino-N-[1-hydroxy-1-({2-[{1-hydroxy-1-[(1-hydroxypropylidene)hydrazinylidene]-3-phenylpropan-2-yl}(methyl)amino]-2-oxoethyl}imino)propan-2-yl]-3-(4-hydroxyphenyl)propanimidic acid
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 183 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 841
Chemistry & industry
Applications
DescriptionEK 209 is an enkephalin analog.
Related reactions
0 records
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Compound notes
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