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3-(4-isopropoxyphenyl)-3-[[2-(2-thienyl)acetyl]amino]propanoic acid
SpectraBase Compound ID 4dQbM3B9ZYJ
InChI InChI=1S/C18H21NO4S/c1-12(2)23-14-7-5-13(6-8-14)16(11-18(21)22)19-17(20)10-15-4-3-9-24-15/h3-9,12,16H,10-11H2,1-2H3,(H,19,20)(H,21,22)
InChIKey BWJWWHYPCMZQSF-UHFFFAOYSA-N
Mol Weight 347.43 g/mol
Molecular Formula C18H21NO4S
Exact Mass 347.119129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E3QkAjW2hCD
Name 3-(4-isopropoxyphenyl)-3-[[2-(2-thienyl)acetyl]amino]propanoic acid
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Formula C18H21NO4S
InChI InChI=1S/C18H21NO4S/c1-12(2)23-14-7-5-13(6-8-14)16(11-18(21)22)19-17(20)10-15-4-3-9-24-15/h3-9,12,16H,10-11H2,1-2H3,(H,19,20)(H,21,22)
InChIKey BWJWWHYPCMZQSF-UHFFFAOYSA-N
Molecular Weight 347.429 g/mol
SMILES OC(CC(c1ccc(cc1)OC(C)C)NC(=O)Cc1sccc1)=O
SPLASH splash10-00dl-9720000000-0f59e0f1747dae6e958e
Synonyms 3-(4-isopropoxyphenyl)-3-[[2-(2-thienyl)acetyl]amino]propionic acid 3-(4-propan-2-yloxyphenyl)-3-(2-thiophen-2-ylethanoylamino)propanoic acid 3-(4-propan-2-yloxyphenyl)-3-[(2-thiophen-2-ylacetyl)amino]propanoic acid 3-[(1-oxo-2-thiophen-2-ylethyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid
Wiley ID 1444224