Basic information
- Standard SMILES
COc1cc(CN(C[C@@H](O)[C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)C(=O)OCC2c3ccccc3-c3ccccc32)cc(OC)c1- InChIKey
PHSBIVKVGICLOC-MPQUPPDSSA-N- Molecular formula
- C39H50N2O7
- Average molar mass
- 658.8 g/mol
- Monoisotopic mass
- 658.36180194
Names & identifiers
- Preferred name
- (2R,3S)-3-(t-butoxycarbonylamino)-4-cyclohexyl-1-(N-(3,5-dimethoxybenzyl)-N-((9H-fluoren-9-yl)methoxycarbonyl)amino)butan-2-ol
- IUPAC
- 9H-fluoren-9-ylmethyl N-[(2R,3S)-4-cyclohexyl-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-N-[(3,5-dimethoxyphenyl)methyl]carbamate
Names & synonyms
SCHEMBL969114PHSBIVKVGICLOC-MPQUPPDSSA-N(2R,3S)-3-(t-butoxycarbonylamino)-4-cyclohexyl-1-(N-(3,5-dimethoxybenzyl)-N-((9H-fluoren-9-yl)methoxycarbonyl)amino)butan-2-ol
Database identifiers
- PubChem CID
- 57786493
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 15
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 979
Related reactions
2 records
Compound notes
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