Basic information
- Standard SMILES
O=C(O)CCN(C1(C(=O)NO)CCCC1)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1- InChIKey
VHHGUBHZBLPTKL-UHFFFAOYSA-N- Molecular formula
- C21H23FN2O7S
- Average molar mass
- 466.5 g/mol
- Monoisotopic mass
- 466.1210003
Overview
Cp-471358 is an aromatic ether.
Names & identifiers
- Preferred name
- 3-((4-(4-Fluorophenoxy)benzenesulfonyl)-(1-hydroxycarbamoylcyclopentyl)amino)propionic acid
- IUPAC
- 3-[[4-(4-fluorophenoxy)phenyl]sulfonyl-[1-(hydroxycarbamoyl)cyclopentyl]amino]propanoic acid
Names & synonyms
3-((4-(4-Fluorophenoxy)benzenesulfonyl)-(1-hydroxycarbamoylcyclopentyl)amino)propionic acid3-[[4-(4-fluorophenoxy)benzenesulfonyl]-(1-hydroxycarbamoylcyclopentyl)amino]propionic acidRefChem:128324CP-471358DTXSID3047265SCHEMBL25130CHEMBL3188106DTXCID1027265CHEBI:189468VHHGUBHZBLPTKL-UHFFFAOYSA-NTox21_300432NCGC00248034-01
Show more names
NCGC00254426-01NS000157213-[[4-(4-luorophenoxy)phenyl]sulonyl-[1-(hydroxycarbamoyl)cyclopentyl]amino]propanoic acidN-[4-(4-Fluorophenoxy)benzene-1-sulfonyl]-N-[1-(hydroxycarbamoyl)cyclopentyl]-beta-alanine3-[[4-(4-fluoro-phenoxy)-benzenesulfonyl]-(1-hydroxycarbamoyl-cyclopentyl)-amino]-propionic acid3-[[4-(4-fluorophenoxy)-benzenesulfonyl]-(1-hydroxycarbamoylcyclopentyl)-amino]propionic acid3-[[4-(4-fluorophenoxy)benzenesulfonyl]-(1-hydroxy carbamoylcyclopentyl) amino]propionic acid
Database identifiers
- PubChem CID
- 9869142
- DTXSID
DTXSID3047265- ChEMBL
CHEMBL3188106- ChEBI
CHEBI:189468
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 751
Experimental & physicochemical properties
Collision Cross Section198.1 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID3047265]
Related reactions
5 records
Compound notes
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