Tyrosyl-alanyl-glycyl-N(alpha)-methylphenylalanine chloromethyl ketone
Basic information
- CAS
109377-04-0- Standard SMILES
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NC(=O)CN(C)[C@@H](Cc1ccccc1)C(=O)CCl- InChIKey
LYYBTOIPJYEMFB-CZAAIQMYSA-N- Molecular formula
- C25H31ClN4O5
- Average molar mass
- 503 g/mol
- Monoisotopic mass
- 502.1982978
Overview
mu specific affinity label for opioid receptor
Names & identifiers
- Preferred name
- Tyrosyl-alanyl-glycyl-N(alpha)-methylphenylalanine chloromethyl ketone
- IUPAC
- (2S)-2-amino-N-[(2R)-1-[[2-[[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]-methylamino]acetyl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide
- English name
- tyrosyl-alanyl-glycyl-N(alpha)-methylphenylalanine chloromethyl ketone
- Molecular formula
- C25H31ClN4O5
- Molecular weight
- 502.99
Names & synonyms
DAMCKDAMKTyr-ala-gly-mephe-cmkTyrosyl-alanyl-glycyl-N(alpha)-methylphenylalanine chloromethyl ketone109377-04-0Tyr-ala-gly-mephe chloromethyl ketoneTyr-ala-gly-N(alpha)-mephe-chloromethyl ketoneTyrosyl-alanyl-glycyl-methylphenylalanyl chloromethyl ketoneRefChem:192716(2S)-2-amino-N-[(2R)-1-[[2-[[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]-methylamino]acetyl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamideSCHEMBL29975568DTXSID60911148
Show more names
Glycinamide, L-tyrosyl-D-alanyl-N-[(1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-N-methyl- (9CI)
Glycinamide, L-tyrosyl-D-alanyl-N-(3-chloro-2-oxo-1-(phenylmethyl)propyl)-N-methyl-, (S)-(2S)-2-Amino-N-{(2R)-1-[(2-{[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl](methyl)amino}-1-hydroxyethylidene)amino]-1-oxopropan-2-yl}-3-(4-hydroxyphenyl)propanimidic acid2-Amino-N-[1-({2-[(4-chloro-3-oxo-1-phenylbutan-2-yl)(methyl)amino]-1-hydroxyethylidene}amino)-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanimidic acid
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 723
Physicochemical properties
- Boiling point
- 812.4 · 812.4±65.0 °C(Predicted)
- Density
- 1.281 · 1.281±0.06 g/cm3(Predicted)
- pka
- 9.97 · 9.97±0.15(Predicted)
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Related reactions
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Compound notes
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