4-[[2-methyl-2-[(2S)-2-methyl-4-pyridin-2-yl-piperazin-1-yl]propanoyl]amino]adamantane-1-carboxylic acid

Systemtic Name: 4-[[2-methyl-2-[(2S)-2-methyl-4-pyridin-2-yl-piperazin-1-yl]propanoyl]amino]adamantane-1-carboxylic acid Openeye Name: 4-[[2-methyl-2-[(2S)-2-methyl-4-(2-pyridyl)piperazin-1-yl]propanoyl]amino]adamantane-1-carboxylic acid CAS Name: 4-[[2-methyl-2-[(2S)-2-methyl-4-(2-pyridinyl)-1-piperazinyl]-1-oxopropyl]amino]-1-adamantanecarboxylic acid IUPAC Name: 4-[[2-methyl-2-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]propanoyl]amino]adamantane-1-carboxylic acid Traditional Name: 4-[[2-methyl-2-[(2S)-2-methyl-4-(2-pyridyl)piperazino]propanoyl]amino]adamantane-1-carboxylic acid Formula: C25H36N4O3 MolecularWeight: 440.57834

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(C)(C)C(=O)NC2C3CC4CC2CC(C4)(C3)C(=O)O)C5=CC=CC=N5

Isomeric SMILES

C[C@H]1CN(CCN1C(C)(C)C(=O)NC2C3CC4CC2CC(C4)(C3)C(=O)O)C5=CC=CC=N5

InChI

InChI=1S/C25H36N4O3/c1-16-15-28(20-6-4-5-7-26-20)8-9-29(16)24(2,3)22(30)27-21-18-10-17-11-19(21)14-25(12-17,13-18)23(31)32/h4-7,16-19,21H,8-15H2,1-3H3,(H,27,30)(H,31,32)/t16-,17?,18?,19?,21?,25?/m0/s1