Basic information
- Standard SMILES
C=C(CCl)CN(Cc1ccccc1)[C@@H](CC(=O)OC(C)(C)C)C(=O)OCc1ccccc1- InChIKey
FQZBPMHRGZLRKB-QHCPKHFHSA-N- Molecular formula
- C26H32ClNO4
- Average molar mass
- 458 g/mol
Names & identifiers
- Preferred name
- 1-Benzyl 4-(tert-Butyl) N-Benzyl-N-(2-(chloromethyl)allyl)-L-aspartate
- IUPAC
- 1-O-benzyl 4-O-tert-butyl (2S)-2-[benzyl-[2-(chloromethyl)prop-2-enyl]amino]butanedioate
Names & synonyms
SCHEMBL1364315FQZBPMHRGZLRKB-QHCPKHFHSA-N1-Benzyl 4-(tert-Butyl) N-Benzyl-N-(2-(chloromethyl)allyl)-L-aspartate791834-42-9SY459988(2S)-[benzyl-(2-chloromethyl-allyl)-amino]-succinic acid 1-benzyl ester 4-tert-butyl ester1-benzyl 4-tert-butyl (2S)-2-{benzyl[2-(chloromethyl)prop-2-en-1-yl]amino}succinate1-benzyl 4-tert-butyl(2S)-2-{benzyl[2-(chloromethyl)prop--2-en-1-yl]amino}succinate1-benzyl 4-tert-butyl(2S)-2-{benzyl[2-(chloromethyl)prop-2-en-1-yl]amino}succinate
Database identifiers
- PubChem CID
- 16069554
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 14
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 603
Related reactions
7 records
Compound notes
Loading…