2(R)-Benzyl-9-benzyloxy-5(S)-tert-butoxycarbonylamino-4(S)-hydroxy-7,7-dimethyl-nonanoic acid (N-butyl)amide
Basic information
- Standard SMILES
CCCCNC(=O)[C@H](Cc1ccccc1)C[C@H](O)[C@H](CC(C)(C)CCOCc1ccccc1)NC(=O)OC(C)(C)C- InChIKey
QTAJLHCRJRRXGN-NGDRWEMDSA-N- Molecular formula
- C34H52N2O5
- Average molar mass
- 568.8 g/mol
Names & identifiers
- Preferred name
- 2(R)-Benzyl-9-benzyloxy-5(S)-tert-butoxycarbonylamino-4(S)-hydroxy-7,7-dimethyl-nonanoic acid (N-butyl)amide
- IUPAC
- tert-butyl N-[(2R,4S,5S)-2-benzyl-1-(butylamino)-4-hydroxy-7,7-dimethyl-1-oxo-9-phenylmethoxynonan-5-yl]carbamate
Names & synonyms
QTAJLHCRJRRXGN-NGDRWEMDSA-N2(R)-Benzyl-9-benzyloxy-5(S)-tert-butoxycarbonylamino-4(S)-hydroxy-7,7-dimethyl-nonanoic acid (N-butyl)amide
Database identifiers
- PubChem CID
- 86752103
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 19
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 738
Related reactions
1 records
Compound notes
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