Basic information
- Standard SMILES
CC[C@H](C)CNC(=O)[C@@H](C[C@H](O)[C@H](CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)NC(=O)OC(C)(C)C)C(C)C- InChIKey
IUUUFFZDZJEGNE-AAXIEHDTSA-N- Molecular formula
- C31H51ClN4O5
- Average molar mass
- 595.2 g/mol
- Monoisotopic mass
- 594.3547984
Names & identifiers
- Preferred name
- {(1S,2S,4S)-1-[4-(2-Chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-ylmethyl]-2-hydroxy-5-methyl-4-[(S)-2-methylbutylcarbamoyl]hexyl}carbamic acid t-butyl ester
- IUPAC
- tert-butyl N-[(2S,3S,5S)-1-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-3-hydroxy-6-methyl-5-[[(2S)-2-methylbutyl]carbamoyl]heptan-2-yl]carbamate
Names & synonyms
SCHEMBL293151IUUUFFZDZJEGNE-AAXIEHDTSA-N{(1S,2S,4S)-1-[4-(2-Chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-ylmethyl]-2-hydroxy-5-methyl-4-[(S)-2-methylbutylcarbamoyl]hexyl}carbamic acid t-butyl ester
Database identifiers
- PubChem CID
- 66645798
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 877
Related reactions
2 records
Compound notes
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