2-[3-(4-hydroxyphenyl)propanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[3-(4-hydroxyphenyl)propanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[3-(4-hydroxyphenyl)propanoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[3-(4-hydroxyphenyl)propanoylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[3-(4-hydroxyphenyl)propanoylamino]-4-(methylthio)butyric acid Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)CCC1=CC=C(C=C1)O

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)CCC1=CC=C(C=C1)O

InChI

InChI=1S/C14H19NO4S/c1-20-9-8-12(14(18)19)15-13(17)7-4-10-2-5-11(16)6-3-10/h2-3,5-6,12,16H,4,7-9H2,1H3,(H,15,17)(H,18,19)