L-Isoleucine, N-(5-(2-furanyl)-3-oxo-4-pentenyl)-, butyl ester, (E)-
Basic information
- CAS
159086-01-8- Standard SMILES
CCCCOC(=O)[C@@H](NCCC(=O)/C=C/c1ccco1)[C@@H](C)CC- InChIKey
NMMZCNNGHFNFLP-REZMZDAPSA-N- Molecular formula
- C19H29NO4
- Average molar mass
- 335.4 g/mol
- Monoisotopic mass
- 335.20965841
Names & identifiers
- Preferred name
- L-Isoleucine, N-(5-(2-furanyl)-3-oxo-4-pentenyl)-, butyl ester, (E)-
- IUPAC
- butyl (2S,3S)-2-[[(E)-5-(furan-2-yl)-3-oxopent-4-enyl]amino]-3-methylpentanoate
Names & synonyms
L-Isoleucine, N-(5-(2-furanyl)-3-oxo-4-pentenyl)-, butyl ester, (E)-159086-01-8RefChem:1088200(E)-N-(5-(2-Furanyl)-3-oxo-4-pentenyl)-L-isoleucine butyl ester
Database identifiers
- CAS
159086-01-8- PubChem CID
- 6448992
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 408
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Compound notes
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