Metkephamid acetate ester
Basic information
- CAS
69924-15-8- Standard SMILES
CN[C@@H](CCSC)C(=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(OC(C)=O)cc1- InChIKey
YWFOFPQGHRGPKP-DCSNJQJVSA-N- Molecular formula
- C31H42N6O7S
- Average molar mass
- 642.8 g/mol
- Monoisotopic mass
- 642.28356887
Names & identifiers
- Preferred name
- Metkephamid acetate ester
- IUPAC
- [4-[(2S)-2-amino-3-[[(2R)-1-[[2-[[(2S)-1-[[(2S)-2-(methylamino)-4-methylsulfanylbutanoyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]phenyl] acetate
Names & synonyms
Metkephamid acetate esterDTXSID60220202O-Acetyl-L-tyrosyl-D-alanylglycyl-N-[(2S)-2-(methylamino)-4-(methylsulfanyl)butanoyl]-L-phenylalaninamide
Database identifiers
- CAS
69924-15-8- PubChem CID
- 5487230
- DTXSID
DTXSID60220202
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 223 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 18
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,000
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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