N-[3-(Hexadecyloxy)-2-hydroxypropyl]-L-tryptophan
Basic information
- CAS
313514-37-3- Standard SMILES
CCCCCCCCCCCCCCCCOCC(O)CN[C@@H](Cc1c[nH]c2ccccc12)C(=O)O- InChIKey
GEFSNCRQOBFECB-BTMGADRYSA-N- Molecular formula
- C30H50N2O4
- Average molar mass
- 502.7 g/mol
- Monoisotopic mass
- 502.37705808
Names & identifiers
- Preferred name
- N-[3-(Hexadecyloxy)-2-hydroxypropyl]-L-tryptophan
- IUPAC
- (2S)-2-[(3-hexadecoxy-2-hydroxypropyl)amino]-3-(1H-indol-3-yl)propanoic acid
Names & synonyms
313514-37-3N-[3-(Hexadecyloxy)-2-hydroxypropyl]-L-tryptophanDTXSID90784004
Database identifiers
- CAS
313514-37-3- PubChem CID
- 71360197
- DTXSID
DTXSID90784004- Nikkaji
- J2.163.563D
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 94.6 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 23
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 547
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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