4[1-(2-Carbamoylethyl)-5-(N-cyclopentylmethylcarbamoyl)indol-3-ylmethyl]-3-methoxybenzoic acid

HCID 19822469

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

Related reactions

7 records

Compound notes

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