4-[[2-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanoyl]amino]adamantane-1-carboxylic acid

Systemtic Name: 4-[[2-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanoyl]amino]adamantane-1-carboxylic acid Openeye Name: 4-[[2-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanoyl]amino]adamantane-1-carboxylic acid CAS Name: 4-[[2-methyl-1-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]amino]-1-adamantanecarboxylic acid IUPAC Name: 4-[[2-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanoyl]amino]adamantane-1-carboxylic acid Traditional Name: 4-[[2-methyl-2-[4-(2-pyrimidyl)piperazino]propanoyl]amino]adamantane-1-carboxylic acid Formula: C23H33N5O3 MolecularWeight: 427.53982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)C(=O)O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)C(=O)O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C23H33N5O3/c1-22(2,28-8-6-27(7-9-28)21-24-4-3-5-25-21)19(29)26-18-16-10-15-11-17(18)14-23(12-15,13-16)20(30)31/h3-5,15-18H,6-14H2,1-2H3,(H,26,29)(H,30,31)