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Basic information
- Standard SMILES
CC(C)C(NC(=O)c1ccc(N2CCC(NCC(O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1)C(=O)O- InChIKey
REDWDSXTDOSSPR-UHFFFAOYSA-N- Molecular formula
- C26H36N4O7S
- Average molar mass
- 548.7 g/mol
Names & identifiers
- Preferred name
- 2-[[4-[4-[[2-Hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]piperidin-1-yl]benzoyl]amino]-3-methylbutanoic acid
- IUPAC
- 2-[[4-[4-[[2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]piperidin-1-yl]benzoyl]amino]-3-methylbutanoic acid
Names & synonyms
SCHEMBL28751608
Database identifiers
- PubChem CID
- 22220331
Properties
Computed structural propertiesFilling in
- XLogP
- -0.4
- Topological polar surface area
- 177 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 881
Related reactions
1 records
Compound notes
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