Basic information
- Standard SMILES
CC(C)(C)OC(=O)COc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)OC(C)(C)C)cc1- InChIKey
CCBWHKKCMRBPHN-QFIPXVFZSA-N- Molecular formula
- C27H35NO7
- Average molar mass
- 485.6 g/mol
- Monoisotopic mass
- 485.24135246
Names & identifiers
- Preferred name
- N-Benzyloxycarbonyl-3-[4-(tert-butoxycarbonylmethoxy)-phenyl]-alanine-tert-butyl ester
- IUPAC
- tert-butyl (2S)-3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoate
Names & synonyms
SCHEMBL8336016CCBWHKKCMRBPHN-QFIPXVFZSA-NN-Benzyloxycarbonyl-3-[4-(tert-butoxycarbonylmethoxy)-phenyl]-alanine-tert-butyl esterN-Benzyloxycarbonyl-3-[4-(tert-butoxycarbonylmethoxy)phenyl]-alanine-tert-butyl ester
Database identifiers
- PubChem CID
- 22940773
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 14
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 681
Related reactions
2 records
Compound notes
Loading…