Basic information
- Standard SMILES
CCc1ccc2c(c1)[C@@H](NC[C@@H](O)[C@@H](N)Cc1ccccc1)CCO2- InChIKey
ZANZXPUGTDDJKJ-SLFFLAALSA-N- Molecular formula
- C21H28N2O2
- Average molar mass
- 340.5 g/mol
Names & identifiers
- Preferred name
- (2R,3S)-3-amino-1-((S)-6-ethylchroman-4-ylamino)-4-phenylbutan-2-ol
- IUPAC
- (2R,3S)-3-amino-1-[[(4S)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]amino]-4-phenylbutan-2-ol
Names & synonyms
SCHEMBL924393ZANZXPUGTDDJKJ-SLFFLAALSA-N(2R,3S)-3-amino-1-((S)-6-ethylchroman-4-ylamino)-4-phenylbutan-2-ol
Database identifiers
- PubChem CID
- 66844744
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 386
Related reactions
2 records
Compound notes
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