CP-471358

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Systematic / IUPAC Name: N-{[4-(4-Fluorophenoxy)phenyl]sulfonyl}-N-[1-(hydroxycarbamoyl)cyclopentyl]-β-alanine

ID: Reference3159

Other Names: β-Alanine, N-{[4-(4-fluorophenoxy)phenyl]sulfonyl}-N-{1-[(hydroxyamino)carbonyl]cyclopentyl}- ;
3-{[4-(4-Fluorophenoxy)benzenesulfonyl]-(1-hydroxy carbamoylcyclopentyl) amino}propionic acid

Formula: C21H23FN2O7S

Spectral Data

CP-471358 mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/22/2015 2:07:02 PM
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Identificators

InChI InChI=1S/C21H23FN2O7S/c22-15-3-5-16(6-4-15)31-17-7-9-18(10-8-17)32(29,30)24(14-11-19(25)26)21(20(27)23-28)12-1-2-13-21/h3-10,28H,1-2,11-14H2,(H,23,27)(H,25,26)
InChI Key VHHGUBHZBLPTKL-UHFFFAOYSA-N
Canonical SMILES C1CCC(C1)(C(=O)NO)N(CCC(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)F
CAS
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Other Names β-Alanine, N-{[4-(4-fluorophenoxy)phenyl]sulfonyl}-N-{1-[(hydroxyamino)carbonyl]cyclopentyl}- ;
3-{[4-(4-Fluorophenoxy)benzenesulfonyl]-(1-hydroxy carbamoylcyclopentyl) amino}propionic acid

In Other Databases

ChemSpider 8044833
PubChem 9869142
ChEMBL CHEMBL3188106