4-[[2-(4-fluorophenyl)ethanoyl-methyl-amino]-(2-methylsulfanylpyrimidin-4-yl)carbonyl-amino]piperidine-1-carboxylic acid

Systemtic Name: 4-[[2-(4-fluorophenyl)ethanoyl-methyl-amino]-(2-methylsulfanylpyrimidin-4-yl)carbonyl-amino]piperidine-1-carboxylic acid Openeye Name: 4-[[[2-(4-fluorophenyl)acetyl]-methyl-amino]-(2-methylsulfanylpyrimidine-4-carbonyl)amino]piperidine-1-carboxylic acid CAS Name: 4-[[[2-(4-fluorophenyl)-1-oxoethyl]-methylamino]-[[2-(methylthio)-4-pyrimidinyl]-oxomethyl]amino]-1-piperidinecarboxylic acid IUPAC Name: 4-[[[2-(4-fluorophenyl)acetyl]-methylamino]-(2-methylsulfanylpyrimidine-4-carbonyl)amino]piperidine-1-carboxylic acid Traditional Name: 4-[[[2-(4-fluorophenyl)acetyl]-methyl-amino]-[2-(methylthio)pyrimidine-4-carbonyl]amino]piperidine-1-carboxylic acid Formula: C21H24FN5O4S MolecularWeight: 461.509763

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)CC1=CC=C(C=C1)F)N(C2CCN(CC2)C(=O)O)C(=O)C3=NC(=NC=C3)SC

Isomeric SMILES

CN(C(=O)CC1=CC=C(C=C1)F)N(C2CCN(CC2)C(=O)O)C(=O)C3=NC(=NC=C3)SC

InChI

InChI=1S/C21H24FN5O4S/c1-25(18(28)13-14-3-5-15(22)6-4-14)27(16-8-11-26(12-9-16)21(30)31)19(29)17-7-10-23-20(24-17)32-2/h3-7,10,16H,8-9,11-13H2,1-2H3,(H,30,31)