enkephalin-Met, Tyr-O-sulfate
Basic information
- CAS
81788-49-0- Standard SMILES
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(OS(=O)(=O)O)cc1)C(=O)O- InChIKey
RKNIEXRSVGCDHY-FKBYEOEOSA-N- Molecular formula
- C27H35N5O10S2
- Average molar mass
- 653.7 g/mol
- Monoisotopic mass
- 653.18253468
Names & identifiers
- Preferred name
- enkephalin-Met, Tyr-O-sulfate
- IUPAC
- (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-sulfooxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoic acid
- English name
- enkephalin-Met, Tyr-O-sulfate
- Molecular formula
- C27H35N5O10S2
- Molecular weight
- 653.7243
Names & synonyms
Enkephalin-met, tyr-O-sulfateMETOS81788-49-0Tyr-O-sulfate-met-enkephalinMet-enkephalin, tyr-O-sulfate-Enkephalin-met, tyrosine-O-sulfate-Methionine-enkephalin, tyr-O-sulfate-DTXSID50231367L-Methionine, N-(N-(N-(N-(O-sulfo-L-tyrosyl)glycyl)glycyl)-L-phenylalanyl)-RefChem:136916DTXCID50153858(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-sulfooxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoic acid
Show more names
L-Methionine,N-[N-[N-[N-(O-sulfo-L-tyrosyl)glycyl]glycyl]-L-phenylalanyl]- (9CI)orb1986083SCHEMBL29729118AKOS030610398T31636O-Sulfo-L-tyrosylglycylglycyl-L-phenylalanyl-L-methionine
Database identifiers
- CAS
81788-49-0- PubChem CID
- 174248
- DTXSID
DTXSID50231367
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 277 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 18
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,070
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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