Basic information
- CAS
105129-01-9- Standard SMILES
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O- InChIKey
OGILYBDMVOATLU-CQJMVLFOSA-N- Molecular formula
- C30H43N5O5
- Average molar mass
- 553.7 g/mol
- Monoisotopic mass
- 553.32641949
Overview
N1 in Chemline for beta-lactorphin is L-tyrosyl-L-leucyl-L-leucyl-L-phenylalaninamide (name in article is SY above, not an amide)
Names & identifiers
- Preferred name
- beta-Lactorphin
- IUPAC
- (2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide
- English name
- beta-lactorphin
- Molecular formula
- C30H42N4O6
- Molecular weight
- 554.684
Names & synonyms
beta-Lactorphin105129-01-9DTXSID30146980RefChem:119439DTXCID9069471Tyr-leu-leu-phe(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamideSCHEMBL29365670tyrosylleucylleucylphenylalaninamideL-Tyrosyl-L-leucyl-L-leucyl-L-phenylalaninamideL-Phenylalaninamide, L-tyrosyl-L-leucyl-L-leucyl-
Database identifiers
- CAS
105129-01-9- PubChem CID
- 128808
- DTXSID
DTXSID30146980
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 177 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 15
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 821
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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