2-[[2-[[1-(4-tert-butylphenyl)piperidin-4-yl]methyl]-6-methylsulfanyl-5-oxidanyl-pyrimidin-4-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[2-[[1-(4-tert-butylphenyl)piperidin-4-yl]methyl]-6-methylsulfanyl-5-oxidanyl-pyrimidin-4-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[2-[[1-(4-tert-butylphenyl)-4-piperidyl]methyl]-5-hydroxy-6-methylsulfanyl-pyrimidine-4-carbonyl]amino]acetic acid CAS Name: 2-[[[2-[[1-(4-tert-butylphenyl)-4-piperidinyl]methyl]-5-hydroxy-6-(methylthio)-4-pyrimidinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[2-[[1-(4-tert-butylphenyl)piperidin-4-yl]methyl]-5-hydroxy-6-methylsulfanylpyrimidine-4-carbonyl]amino]acetic acid Traditional Name: 2-[[2-[[1-(4-tert-butylphenyl)-4-piperidyl]methyl]-5-hydroxy-6-(methylthio)pyrimidine-4-carbonyl]amino]acetic acid Formula: C24H32N4O4S MolecularWeight: 472.60028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2CCC(CC2)CC3=NC(=C(C(=N3)SC)O)C(=O)NCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2CCC(CC2)CC3=NC(=C(C(=N3)SC)O)C(=O)NCC(=O)O

InChI

InChI=1S/C24H32N4O4S/c1-24(2,3)16-5-7-17(8-6-16)28-11-9-15(10-12-28)13-18-26-20(21(31)23(27-18)33-4)22(32)25-14-19(29)30/h5-8,15,31H,9-14H2,1-4H3,(H,25,32)(H,29,30)