1-[2-[(5-fluoranyl-1-methyl-indol-2-yl)carbonylamino]-4-methylsulfanyl-butanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[(5-fluoranyl-1-methyl-indol-2-yl)carbonylamino]-4-methylsulfanyl-butanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[(5-fluoro-1-methyl-indole-2-carbonyl)amino]-4-methylsulfanyl-butanoyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[[(5-fluoro-1-methyl-2-indolyl)-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[(5-fluoro-1-methylindole-2-carbonyl)amino]-4-methylsulfanylbutanoyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(5-fluoro-1-methyl-indole-2-carbonyl)amino]-4-(methylthio)butanoyl]isonipecotic acid Formula: C21H26FN3O4S MolecularWeight: 435.512243

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)F)C=C1C(=O)NC(CCSC)C(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

CN1C2=C(C=C(C=C2)F)C=C1C(=O)NC(CCSC)C(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C21H26FN3O4S/c1-24-17-4-3-15(22)11-14(17)12-18(24)19(26)23-16(7-10-30-2)20(27)25-8-5-13(6-9-25)21(28)29/h3-4,11-13,16H,5-10H2,1-2H3,(H,23,26)(H,28,29)