4-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-[[1-[[1-[[1-[[1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Basic information
- CAS
129813-57-6- Standard SMILES
CSCCC(NC(=O)C(N)Cc1ccc(O)cc1)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCN=C(N)N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O- InChIKey
LABZPEAYQTYYEF-UHFFFAOYSA-N- Molecular formula
- C51H65N13O11S
- Average molar mass
- 1,068.2 g/mol
- Monoisotopic mass
- 1,067.46472111
Names & identifiers
- Preferred name
- 4-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-[[1-[[1-[[1-[[1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
- IUPAC
- 4-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-[[1-[[1-[[1-[[1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
- English name
- Tyr-Met-Glu-His-Phe-Arg-Trp
- Molecular formula
- C51H65N13O11S
- Molecular weight
- 1068.21
Names & synonyms
129813-57-64-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-[[1-[[1-[[1-[[1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acidTYR-MET-GLU-HIS-PHE-ARG-TRPDTXSID50400197Tyrosylmethionyl-alpha-glutamylhistidylphenylalanyl-N~5~-(diaminomethylidene)ornithyltryptophanYMEHFRWTYR-ACTH (4-9)H-TYR-MET-GLU-HIS-PHE-ARG-TRP-OHTYR-ADRENOCORTICOTROPIC HORMONE (4-9)tyr-adrenocorticotropic hormone*fragment 4-9ADRENOCORTICOTROPIC HORMONE HUMAN TYR-FRAGMENT 4-9adrenocorticotropic hormone Tyr-fragment 4-9, human
Show more names
adrenocorticotropic hormone tyr-fragment 4-9 human, ratL-Tryptophan, L-tyrosyl-L-methionyl-L-α-glutamyl-L-histidyl-L-phenylalanyl-L-arginyl- (9CI)
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 430 Ų
- Hydrogen bond donors
- 14
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 31
- Heavy atoms
- 76
- Formal charge
- 0
- Complexity
- 1,950
Physicochemical properties
- Density
- 1.467 · 1.467±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 20 °C · −20°C
- pka
- 3.364 · 3.364±0.10(predicted)
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
Chemistry & industry
Applications
UsesTyr-ACTH (4-9) is a behaviorally active peptide. Tyr-ACTH (4-9) can be used for research of learned behavior extinction in the rat[1].
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Compound notes
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