Tyrosyl-alanyl glycyl-phenylalaninamide-propyl-phenylalaninamide-glycyl-alanyl-tyrosine

HCID 5487664

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Basic information

CAS: 83916-02-3
Standard SMILES: C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)NC(=O)[C@H](Cc1ccccc1)NCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
InChIKey: VOYMHBFXEYODFE-NZLBFSCJSA-N
Molecular formula: C49H62N10O10
Average molar mass: 951.1 g/mol
Monoisotopic mass: 950.46503821

Overview

enkephalin dimer

Names & identifiers

Preferred name: Tyrosyl-alanyl glycyl-phenylalaninamide-propyl-phenylalaninamide-glycyl-alanyl-tyrosine
IUPAC: (2S)-2-amino-N-[(2R)-1-[[2-[[(2S)-1-[3-[[(2S)-1-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]propylamino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide
English name: tyrosyl-alanyl glycyl-phenylalaninamide-propyl-phenylalaninamide-glycyl-alanyl-tyrosine
Molecular weight: 0

Names & synonyms

D-Enk-3Tyrosyl-alanyl glycyl-phenylalaninamide-propyl-phenylalaninamide-glycyl-alanyl-tyrosine83916-02-3DTXSID40232803Tyr-ala-gly-phe-NH-(CH2)3-HN-phe-gly-ala-tyrRefChem:192711DTXCID30155294(2S)-2-amino-N-[(2R)-1-[[2-[[(2S)-1-[3-[[(2S)-1-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]propylamino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamideL-Phenylalaninamide, L-tyrosyl-D-alanylglycyl-N-(3-((N-(N-(N-L-tyrosyl-D-alanyl)glycyl)-L-phenylalanyl)amino)propyl)-L-Tyrosyl-D-alanylglycyl-N-[3-({(2S)-1-oxo-3-phenyl-1-[(L-tyrosyl-D-alanylglycyl)amino]propan-2-yl}amino)propyl]-L-phenylalaninamide

Database identifiers

CAS: 83916-02-3
PubChem CID: 5487664
DTXSID: DTXSID40232803

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 325 Å²
Hydrogen bond donors: 12
Hydrogen bond acceptors: 13
Rotatable bonds: 26
Heavy atoms: 69
Formal charge: 0
Complexity: 1,660

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