5-{[4-(Methoxycarbonyl)-3-thienyl]amino}-5-oxo-3-phenylpentanoic acid

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Systematic / IUPAC Name: 5-{[4-(Methoxycarbonyl)-3-thienyl]amino}-5-oxo-3-phenylpentanoic acid

ID: Reference4648

Other Names: 3-Thiophenecarboxylic acid, 4-[(4-carboxy-1-oxo-3-phenylbutyl)amino]-, 3-methyl ester;
4-{[4-(Methoxycarbonyl)thiophen-3-yl]carbamoyl}-3-phenylbutanoic acid

Formula: C17H17NO5S

Spectral Data

5-{[4-(Methoxycarbonyl)-3-thienyl]amino}-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 4/26/2016 8:54:58 AM
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Identificators

InChI InChI=1S/C17H17NO5S/c1-23-17(22)13-9-24-10-14(13)18-15(19)7-12(8-16(20)21)11-5-3-2-4-6-11/h2-6,9-10,12H,7-8H2,1H3,(H,18,19)(H,20,21)
InChI Key UJOHJOGUOWCXRB-UHFFFAOYSA-N
Canonical SMILES COC(=O)C1=CSC=C1NC(=O)CC(CC(=O)O)C2=CC=CC=C2
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Other Names 3-Thiophenecarboxylic acid, 4-[(4-carboxy-1-oxo-3-phenylbutyl)amino]-, 3-methyl ester;
4-{[4-(Methoxycarbonyl)thiophen-3-yl]carbamoyl}-3-phenylbutanoic acid

In Other Databases

ChemSpider 2091216
PubChem 2812812
ChEMBL CHEMBL1927921