4-[[2-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanoyl]amino]adamantane-1-carboxylic acid

Systemtic Name: 4-[[2-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanoyl]amino]adamantane-1-carboxylic acid Openeye Name: 4-[[2-methyl-2-(4-thiazol-2-ylpiperazin-1-yl)propanoyl]amino]adamantane-1-carboxylic acid CAS Name: 4-[[2-methyl-1-oxo-2-[4-(2-thiazolyl)-1-piperazinyl]propyl]amino]-1-adamantanecarboxylic acid IUPAC Name: 4-[[2-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanoyl]amino]adamantane-1-carboxylic acid Traditional Name: 4-[[2-methyl-2-(4-thiazol-2-ylpiperazino)propanoyl]amino]adamantane-1-carboxylic acid Formula: C22H32N4O3S MolecularWeight: 432.57948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)C(=O)O)N4CCN(CC4)C5=NC=CS5

Isomeric SMILES

CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)C(=O)O)N4CCN(CC4)C5=NC=CS5

InChI

InChI=1S/C22H32N4O3S/c1-21(2,26-6-4-25(5-7-26)20-23-3-8-30-20)18(27)24-17-15-9-14-10-16(17)13-22(11-14,12-15)19(28)29/h3,8,14-17H,4-7,9-13H2,1-2H3,(H,24,27)(H,28,29)