5-[4-(Aminosulfonyl)anilino]-5-oxo-3-phenylpentanoic acid

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Systematic / IUPAC Name: 5-Oxo-3-phenyl-5-[(4-sulfamoylphenyl)amino]pentanoic acid

ID: Reference6484

Other Names: 3-Phenyl-4-[(4-sulfamoylphenyl)carbamoyl]butanoic acid;
Benzenepropanoic acid, β-(2-{[4-(aminosulfonyl)phenyl]amino}-2-oxoethyl)-

Formula: C17H18N2O5S

Spectral Data

5-[4-(Aminosulfonyl)anilino]-5-oxo-3-phenylpentanoic acid 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 3/17/2017 1:20:29 PM
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Identificators

InChI InChI=1S/C17H18N2O5S/c18-25(23,24)15-8-6-14(7-9-15)19-16(20)10-13(11-17(21)22)12-4-2-1-3-5-12/h1-9,13H,10-11H2,(H,19,20)(H,21,22)(H2,18,23,24)
InChI Key LBDKPGOMIVLKLD-UHFFFAOYSA-N
Canonical SMILES C1=CC=C(C=C1)C(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)CC(=O)O
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Other Names 3-Phenyl-4-[(4-sulfamoylphenyl)carbamoyl]butanoic acid;
Benzenepropanoic acid, β-(2-{[4-(aminosulfonyl)phenyl]amino}-2-oxoethyl)-

In Other Databases

PubChem 2812817
ChemSpider 2091221