4-[[2-methyl-2-[(2R)-2-methyl-4-(5-methylpyridin-2-yl)piperazin-1-yl]propanoyl]amino]adamantane-1-carboxylic acid

Systemtic Name: 4-[[2-methyl-2-[(2R)-2-methyl-4-(5-methylpyridin-2-yl)piperazin-1-yl]propanoyl]amino]adamantane-1-carboxylic acid Openeye Name: 4-[[2-methyl-2-[(2R)-2-methyl-4-(5-methyl-2-pyridyl)piperazin-1-yl]propanoyl]amino]adamantane-1-carboxylic acid CAS Name: 4-[[2-methyl-2-[(2R)-2-methyl-4-(5-methyl-2-pyridinyl)-1-piperazinyl]-1-oxopropyl]amino]-1-adamantanecarboxylic acid IUPAC Name: 4-[[2-methyl-2-[(2R)-2-methyl-4-(5-methylpyridin-2-yl)piperazin-1-yl]propanoyl]amino]adamantane-1-carboxylic acid Traditional Name: 4-[[2-methyl-2-[(2R)-2-methyl-4-(5-methyl-2-pyridyl)piperazino]propanoyl]amino]adamantane-1-carboxylic acid Formula: C26H38N4O3 MolecularWeight: 454.60492

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(C)(C)C(=O)NC2C3CC4CC2CC(C4)(C3)C(=O)O)C5=NC=C(C=C5)C

Isomeric SMILES

C[C@@H]1CN(CCN1C(C)(C)C(=O)NC2C3CC4CC2CC(C4)(C3)C(=O)O)C5=NC=C(C=C5)C

InChI

InChI=1S/C26H38N4O3/c1-16-5-6-21(27-14-16)29-7-8-30(17(2)15-29)25(3,4)23(31)28-22-19-9-18-10-20(22)13-26(11-18,12-19)24(32)33/h5-6,14,17-20,22H,7-13,15H2,1-4H3,(H,28,31)(H,32,33)/t17-,18?,19?,20?,22?,26?/m1/s1