2-[[2-ethanoylsulfanyl-3-(4-fluorophenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: 2-[[2-ethanoylsulfanyl-3-(4-fluorophenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[[2-acetylsulfanyl-3-(4-fluorophenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[[2-(acetylthio)-3-(4-fluorophenyl)-1-oxobutyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[[2-acetylsulfanyl-3-(4-fluorophenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[[2-(acetylthio)-3-(4-fluorophenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C21H22FNO5S MolecularWeight: 419.466483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)F)C(C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O)SC(=O)C

Isomeric SMILES

CC(C1=CC=C(C=C1)F)C(C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O)SC(=O)C

InChI

InChI=1S/C21H22FNO5S/c1-12(15-5-7-16(22)8-6-15)19(29-13(2)24)20(26)23-18(21(27)28)11-14-3-9-17(25)10-4-14/h3-10,12,18-19,25H,11H2,1-2H3,(H,23,26)(H,27,28)