Basic information
- Standard SMILES
CCCCCCCOc1ccc(CC[C@](C)(/C=C/C(=O)O)NC(=O)OC(C)(C)C)cc1- InChIKey
IKJMLQGRJVBUHN-QQDPUAARSA-N- Molecular formula
- C25H39NO5
- Average molar mass
- 433.6 g/mol
Names & identifiers
- Preferred name
- (E)-(R)-4-tert-butoxycarbonylamino-6-(4-heptyloxy-phenyl)-4-methyl-hex-2-enoic acid
- IUPAC
- (E,4R)-6-(4-heptoxyphenyl)-4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-enoic acid
Names & synonyms
SCHEMBL3290667IKJMLQGRJVBUHN-QQDPUAARSA-N(E)-(R)-4-tert-butoxycarbonylamino-6-(4-heptyloxy-phenyl)-4-methyl-hex-2-enoic acid
Database identifiers
- PubChem CID
- 58897682
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 15
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 561
Related reactions
2 records
Compound notes
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