Basic information
- Standard SMILES
COC(=O)C(C)c1cc(C(CC(C)C)NC(=O)OCc2ccccc2)no1- InChIKey
JYMKMZKCBFWQNR-UHFFFAOYSA-N- Molecular formula
- C20H26N2O5
- Average molar mass
- 374.4 g/mol
- Monoisotopic mass
- 374.18417193
Names & identifiers
- Preferred name
- 3-(1-Benzyloxycarbonylamino-3-methyl-butyl)-isoxazol-5-yl-propionic acid methyl ester
- IUPAC
- methyl 2-[3-[3-methyl-1-(phenylmethoxycarbonylamino)butyl]-1,2-oxazol-5-yl]propanoate
Names & synonyms
JYMKMZKCBFWQNR-UHFFFAOYSA-N3-(1-benzyloxycarbonylamino-3-methyl-butyl)-isoxazol-5-yl-propionic acid methyl ester
Database identifiers
- PubChem CID
- 86757516
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 479
Related reactions
1 records
Compound notes
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