Basic information
- Standard SMILES
CC(C)(C)OC(=O)N[C@@H](C[C@H](C/C=C/c1ccc(CCCO)cc1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C- InChIKey
FXBPRKBYGDSJMS-BNIBNVHDSA-N- Molecular formula
- C30H47NO7
- Average molar mass
- 533.7 g/mol
Names & identifiers
- Preferred name
- di-tert-butyl (4S)-N-(tert-butoxycarbonyl)-4-{(E)-3-[4-(3-hydroxypropyl)phenyl]prop-2-en-1-yl}-L-glutamate
- IUPAC
- ditert-butyl (2S,4S)-2-[(E)-3-[4-(3-hydroxypropyl)phenyl]prop-2-enyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate
Names & synonyms
SCHEMBL13639721FXBPRKBYGDSJMS-BNIBNVHDSA-NDi-tert-butyl (4S)-N-(tert-butoxycarbonyl)-4-{(E)-3-[4-(3-hydroxypropyl)phenyl]-prop-2-en-1-yl}-L-glutamatedi-tert-butyl (4S)-N-(tert-butoxycarbonyl)-4-{(E)-3-[4-(3-hydroxypropyl)phenyl]prop-2-en-1-yl}-L-glutamate
Database identifiers
- PubChem CID
- 89136299
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 17
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 778
Related reactions
2 records
Compound notes
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