Basic information
- Standard SMILES
CC#CCOc1ccc(S(=O)(=O)NC(Cc2c[nH]c3ccc(OCc4ccccc4)cc23)C(=O)O)cc1- InChIKey
OPSGGAROSGLASJ-UHFFFAOYSA-N- Molecular formula
- C28H26N2O6S
- Average molar mass
- 518.6 g/mol
Names & identifiers
- Preferred name
- 2-(4-But-2-ynyloxy-benzenesulfonylamino)-3-(5-benzyloxy-1H-indol-3-YL)-propionic acid
- IUPAC
- 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(5-phenylmethoxy-1H-indol-3-yl)propanoic acid
Names & synonyms
CHEMBL463395SCHEMBL3850968OPSGGAROSGLASJ-UHFFFAOYSA-NBDBM502792873-(5-(benzyloxy)-1H-indol-3-yl)-2-(4-(but-2-ynyloxy)phenylsulfonamido)propanoic acidrac-2-(4-But-2-ynyloxy-benzenesulfonyl-amino)-3-(5-benzyloxy-1H-indol-3-yl)-propionic acid2-(4-BUT-2-YNYLOXY-BENZENESULFONYLAMINO)-3-(5-BENZYLOXY-1H-INDOL-3-YL)-PROPIONIC ACID
Database identifiers
- PubChem CID
- 11533683
- ChEMBL
CHEMBL463395
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 908
Related reactions
2 records
Compound notes
Loading…