Basic information
- Standard SMILES
CC(C)N(C1(C(=O)O)CC1)S(=O)(=O)c1cccc(C(=O)Nc2sc3c(c2C(=O)Nc2ccc(CCc4ccc(C(=O)O)cc4)cc2)CCCC3)c1- InChIKey
MAJZHUZDHPXJLE-UHFFFAOYSA-N- Molecular formula
- C38H39N3O8S2
- Average molar mass
- 729.9 g/mol
Names & identifiers
- Preferred name
- 4-{2-[4-({[2-({3-[(1-Carboxycyclopropyl)(isopropyl)sulfamoyl]benzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]carbonyl}amino)phenyl]ethyl}benzoic acid
- IUPAC
- 4-[2-[4-[[2-[[3-[(1-carboxycyclopropyl)-propan-2-ylsulfamoyl]benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]phenyl]ethyl]benzoic acid
Names & synonyms
SCHEMBL14659752MAJZHUZDHPXJLE-UHFFFAOYSA-N4-{2-[4-({[2-({3-[(1-carboxycyclopropyl)(isopropyl)sulfamoyl]benzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]carbonyl}amino)phenyl]ethyl}benzoic acid
Database identifiers
- PubChem CID
- 54588520
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 207 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 13
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,380
Related reactions
2 records
Compound notes
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