Basic information
- CAS
95210-75-6- Standard SMILES
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N1CCC[C@H]1C(=O)O- InChIKey
GBYIGSOSWSECBF-RZTACLFWSA-N- Molecular formula
- C49H68N8O12
- Average molar mass
- 961.1 g/mol
- Monoisotopic mass
- 960.49566962
Overview
RN given from CA Index Guide 1986
Names & identifiers
- Preferred name
- Beta casomorphin 8 protein, human
- IUPAC
- (2S)-1-[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-4-carboxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]pyrrolidine-2-carboxylic acid
- English name
- beta casomorphin 8, human
- Molecular formula
- C49H68N8O12
- Molecular weight
- 961.11062
Names & synonyms
Human beta casomorphin 8Beta casomorphin 8, humanPro-tyr-pro-phe-val-glu-pro-ile-NH2Prolyl-tyrosyl-prolyl-phenylalanyl-valyl-glutamyl-prolyl-isoleucinamide95210-75-6Beta casomorphin 8 protein, humanRefChem:119135beta-Casomorphin 8, humanDTXSID201366273Tyr-Pro-Phe-Val-Glu-Pro-Ile-ProL-Proline, 1-(N-(1-(N-(N-(N-(1-L-tyrosyl-L-prolyl)-L-phenylalanyl)-L-valyl)-L-alpha-glutamyl)-L-prolyl)-L-isoleucyl)-β-Casomorphin-8【human】
Show more names
L-Tyr-L-Pro-L-Phe-L-Val-L-Glu-L-Pro-L-Ile-L-Pro-OH
Database identifiers
- CAS
95210-75-6- PubChem CID
- 125288
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 298 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 22
- Heavy atoms
- 69
- Formal charge
- 0
- Complexity
- 1,840
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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