2-[3-(6-fluoranylindol-1-yl)propanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[3-(6-fluoranylindol-1-yl)propanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[3-(6-fluoroindol-1-yl)propanoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[3-(6-fluoro-1-indolyl)-1-oxopropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[3-(6-fluoroindol-1-yl)propanoylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[3-(6-fluoroindol-1-yl)propanoylamino]-4-(methylthio)butyric acid Formula: C16H19FN2O3S MolecularWeight: 338.397063

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)CCN1C=CC2=C1C=C(C=C2)F

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)CCN1C=CC2=C1C=C(C=C2)F

InChI

InChI=1S/C16H19FN2O3S/c1-23-9-6-13(16(21)22)18-15(20)5-8-19-7-4-11-2-3-12(17)10-14(11)19/h2-4,7,10,13H,5-6,8-9H2,1H3,(H,18,20)(H,21,22)