Basic information
- Standard SMILES
CC(C1CCCCC1)N1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)CC(c2ccccc2)(c2ccccc2)c2ccccc2)C1- InChIKey
CECIDHDTXFJNEP-GBJMQPMTSA-N- Molecular formula
- C45H58N4O4
- Average molar mass
- 719 g/mol
Names & identifiers
- Preferred name
- (2R)-N-({(3S)-1-(1-cyclohexylethyl)-3-piperidyl}methyl)-1-{(2S,4R)-4-hydroxy-1-(3,3,3-triphenylpropanoyl)pyrrolidin-2-yl}carbonylpyrrolidine-2-carboxamide
- IUPAC
- (2R)-N-[[(3S)-1-(1-cyclohexylethyl)piperidin-3-yl]methyl]-1-[(2S,4R)-4-hydroxy-1-(3,3,3-triphenylpropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
Names & synonyms
SCHEMBL4578664CECIDHDTXFJNEP-GBJMQPMTSA-N(2R)-N-({(3S)-1-(1-cyclohexylethyl)-3-piperidyl}methyl)-1-{(2S,4R)-4-hydroxy-1-(3,3,3-triphenylpropanoyl)pyrrolidin-2-yl}carbonylpyrrolidine-2-carboxamide
Database identifiers
- PubChem CID
- 69100804
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 93.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 1,160
Related reactions
2 records
Compound notes
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