beta-Endorphin, trp(27)
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Basic information
- CAS
81514-80-9- Standard SMILES
CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C)CC- InChIKey
OWOFNLZLAHLEOH-AFKLHAOASA-N- Molecular formula
- C160H252N40O45S
- Average molar mass
- 3,488 g/mol
- Monoisotopic mass
- 3,485.8380972
Overview
tryptophan replaces tyrosine in position 27
Names & identifiers
- Preferred name
- beta-Endorphin, trp(27)
- IUPAC
- (2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]acetyl]amino]pentanedioic acid
- English name
- beta-endorphin, Trp(27)
- Molecular formula
- C160H252N40O45S
- Molecular weight
- 3488.03
Names & synonyms
beta-Endorphin, trp(27)27-Tryptophyl-beta-endorphinbeta-Endorphin, 27-L-tryptophan-31-L-glutamic acid-81514-80-9RefChem:119356(Trp27)-beta-human endorphinβ-Endorphin (sheep), 27-L-tryptophan-31-L-glutamic acid-β-Endorphin (sheep), 27-L-tryptophan-31-L-glutamic acid- (9CI)
Database identifiers
- CAS
81514-80-9- PubChem CID
- 129010981
Properties
Computed structural propertiesFilling in
- XLogP
- -13.4
- Topological polar surface area
- 1,420 Ų
- Hydrogen bond donors
- 48
- Hydrogen bond acceptors
- 52
- Rotatable bonds
- 118
- Heavy atoms
- 246
- Formal charge
- 0
- Complexity
- 7,960
Physicochemical properties
- Boiling point
- 2944.8 · 2944.8±65.0 °C(Predicted)
- Density
- 1.304 · 1.304±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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