Basic information
- Standard SMILES
CN(C(=O)[C@](C)(O)c1ccccc1)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1- InChIKey
ONZLCVIMNGEBAT-MZNJEOGPSA-N- Molecular formula
- C24H26N2O4
- Average molar mass
- 406.5 g/mol
Names & identifiers
- Preferred name
- [(7R)-7-{[(2R)-2-hydroxy-2-phenylpropanoyl](methyl)amino}-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid
- IUPAC
- 2-[(7R)-7-[[(2R)-2-hydroxy-2-phenylpropanoyl]-methylamino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid
Names & synonyms
SCHEMBL2188318ONZLCVIMNGEBAT-MZNJEOGPSA-N[(7R)-7-{[(2R)-2-hydroxy-2-phenylpropanoyl](methyl)amino}-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid
Database identifiers
- PubChem CID
- 58349686
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 82.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 649
Related reactions
1 records
Compound notes
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