enkephalinamide-Leu, Ala(2)-aminoethyl dimer-
Basic information
- CAS
82221-89-4- Standard SMILES
CC(C)C[C@H](NCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1- InChIKey
JRWJPZLRGAHOTB-YZWQYETPSA-N- Molecular formula
- C60H82N12O12
- Average molar mass
- 1,163.4 g/mol
- Monoisotopic mass
- 1,162.6175161
Overview
dimeric pentapeptide enkephalin consisting of two molecules of Ala-leucine enkephalin linked at C-terminal leucine with ethylenediamine; RN given refers to parent cpd; structure given in first source
Names & identifiers
- Preferred name
- enkephalinamide-Leu, Ala(2)-aminoethyl dimer-
- IUPAC
- (2S)-N-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]-2-[2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]ethylamino]-4-methylpentanamide
- English name
- enkephalinamide-Leu, Ala(2)-aminoethyl dimer-
- Molecular formula
- C60H82N12O12
- Molecular weight
- 1163.36628
Names & synonyms
DPE2Enkephalinamide-leu, ala(2)-aminoethyl dimer-82221-89-42-Ala-aminoethyl dimer-leu-enkephalinamideLeu-enkephalinamide, ala(2) aminoethyl dimer-DTXSID00231635Enkephalinamide-leu, alanine(2)-aminoethyl dimer-Leucine-enkephalinamide, ala(2)-aminoethyl dimer-RefChem:136926DTXCID30154126(2S)-N-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]-2-[2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]ethylamino]-4-methylpentanamideSCHEMBL29374844
Show more names
L-Leucinamide, L-tyrosyl-D-alanylglycyl-L-phenylalanyl-N-(2-((N-(N-(N-(N-L-tyrosyl-D-alanyl)glycyl)-L-phenylalanyl)-L-leucyl)amino)ethyl)-L-Tyrosyl-D-alanylglycyl-L-phenylalanyl-N-[2-({(2S)-4-methyl-1-oxo-1-[(L-tyrosyl-D-alanylglycyl-L-phenylalanyl)amino]pentan-2-yl}amino)ethyl]-L-leucinamide
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 384 Ų
- Hydrogen bond donors
- 14
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 33
- Heavy atoms
- 84
- Formal charge
- 0
- Complexity
- 2,120
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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