Basic information
- Standard SMILES
O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1- InChIKey
WUHUVZJYMLYIBB-OJDZSJEKSA-N- Molecular formula
- C33H46N2O3
- Average molar mass
- 518.7 g/mol
Names & identifiers
- Preferred name
- 2-cyclohexyl-2-{3-[4-hydroxy-4-(3-phenylpropyl)hexahydro-1-pyridinylmethyl]-4-phenyltetrahydro-1H-1-pyrrolyl}acetic acid
- IUPAC
- (2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid
Names & synonyms
CHEMBL322603SCHEMBL7544876WUHUVZJYMLYIBB-OJDZSJEKSA-N2-cyclohexyl-2-{3-[4-hydroxy-4-(3-phenylpropyl)hexahydro-1-pyridinylmethyl]-4-phenyltetrahydro-1H-1-pyrrolyl}acetic acidBDBM50119343(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-hydroxy-4-(3-phenylpropyl)-1-piperidyl]methyl]-4-phenyl-pyrrolidin-1-yl]acetic acid(R)-2-Cyclohexyl-{(3S,4S)-3-[4-hydroxy-4-(3-phenyl-propyl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-acetic acid2-(r)-(3-(s)-((4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl)methyl)-4-(s)-phenylpyrrolidin-1-yl)-2-(cyclohexyl)acetic acid
Database identifiers
- PubChem CID
- 501046
- ChEMBL
CHEMBL322603- Nikkaji
- J1.804.700D
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 718
Related reactions
1 records
Compound notes
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