Basic information
- Standard SMILES
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(O)C(=O)OC(C)C- InChIKey
QHCPTMPXOWHSSU-LUIZSJORSA-N- Molecular formula
- C21H32N2O6
- Average molar mass
- 408.5 g/mol
Names & identifiers
- Preferred name
- isopropyl (2RS, 3S)-3-(N-benzyloxycarbonyl-L-alanyl)amino-2-hydroxy-5-methylhexanoate
- IUPAC
- propan-2-yl (3S)-2-hydroxy-5-methyl-3-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexanoate
Names & synonyms
QHCPTMPXOWHSSU-LUIZSJORSA-Nisopropyl (2RS, 3S)-3-(N-benzyloxycarbonyl-L-alanyl)amino-2-hydroxy-5-methylhexanoate
Database identifiers
- PubChem CID
- 86743281
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 531
Related reactions
2 records
Compound notes
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