Basic information
- Standard SMILES
COc1cc(C(=O)O)ccc1Cc1cn(CCC(N)=O)c2ccc(C(=O)NCC3CCCC3)cc12- InChIKey
SQURXKNJLJVTFI-UHFFFAOYSA-N- Molecular formula
- C27H31N3O5
- Average molar mass
- 477.6 g/mol
Names & identifiers
- Preferred name
- 4[1-(2-Carbamoylethyl)-5-(N-cyclopentylmethylcarbamoyl)indol-3-ylmethyl]-3-methoxybenzoic acid
- IUPAC
- 4-[[1-(3-amino-3-oxopropyl)-5-(cyclopentylmethylcarbamoyl)indol-3-yl]methyl]-3-methoxybenzoic acid
Names & synonyms
SCHEMBL9669466SQURXKNJLJVTFI-UHFFFAOYSA-N4-[1-(2-Carbamoylethyl)-5-(N-cyclopentylmethylcarbamoyl)indol-3-ylmethyl]-3-methoxybenzoic acid4[1-(2-Carbamoylethyl)-5-(N-cyclopentylmethylcarbamoyl)indol-3-ylmethyl]-3-methoxybenzoic acid
Database identifiers
- PubChem CID
- 19822469
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 755
Related reactions
7 records
Compound notes
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