Basic information
- Standard SMILES
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1F)C(=O)O- InChIKey
XTVRAPRCGPROSJ-GIVPXCGWSA-N- Molecular formula
- C24H30FNO5
- Average molar mass
- 431.5 g/mol
Names & identifiers
- Preferred name
- 5(S)-(Boc-amino)-4(S)-hydroxy-6-phenyl-2(R)-(o-fluorophenylmethyl)-hexanoic acid
- IUPAC
- (2R,4S,5S)-2-[(2-fluorophenyl)methyl]-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhexanoic acid
Names & synonyms
SCHEMBL7635798XTVRAPRCGPROSJ-GIVPXCGWSA-N5(S)-(Boc-amino)-4(S)-hydroxy-6-phenyl-2(R)-(o-fluorophenylmethyl)-hexanoic acid5(S)-(Boc-Amino)-4(S)-hydroxy-6-phenyl-2(R)-[(o-fluorophenyl)methyl]hexanoic acid
Database identifiers
- PubChem CID
- 22874294
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 573
Related reactions
6 records
Compound notes
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