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

Systemtic Name: 4-[[2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methyl-propanoyl]amino]adamantane-1-carboxylic acid Openeye Name: 4-[[2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methyl-propanoyl]amino]adamantane-1-carboxylic acid CAS Name: 4-[[2-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-2-methyl-1-oxopropyl]amino]-1-adamantanecarboxylic acid IUPAC Name: 4-[[2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpropanoyl]amino]adamantane-1-carboxylic acid Traditional Name: 4-[[2-[4-(1,3-benzothiazol-2-yl)piperazino]-2-methyl-propanoyl]amino]adamantane-1-carboxylic acid Formula: C26H34N4O3S MolecularWeight: 482.63816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)C(=O)O)N4CCN(CC4)C5=NC6=CC=CC=C6S5

Isomeric SMILES

CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)C(=O)O)N4CCN(CC4)C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C26H34N4O3S/c1-25(2,30-9-7-29(8-10-30)24-27-19-5-3-4-6-20(19)34-24)22(31)28-21-17-11-16-12-18(21)15-26(13-16,14-17)23(32)33/h3-6,16-18,21H,7-15H2,1-2H3,(H,28,31)(H,32,33)