2-cyano-4-[[3-cyclohexyl-2-[(4-methylpiperazin-1-yl)carbonylamino]propanoyl]amino]piperidine-1-carboxylic acid

Systemtic Name: 2-cyano-4-[[3-cyclohexyl-2-[(4-methylpiperazin-1-yl)carbonylamino]propanoyl]amino]piperidine-1-carboxylic acid Openeye Name: 2-cyano-4-[[3-cyclohexyl-2-[(4-methylpiperazine-1-carbonyl)amino]propanoyl]amino]piperidine-1-carboxylic acid CAS Name: 2-cyano-4-[[3-cyclohexyl-2-[[(4-methyl-1-piperazinyl)-oxomethyl]amino]-1-oxopropyl]amino]-1-piperidinecarboxylic acid IUPAC Name: 2-cyano-4-[[3-cyclohexyl-2-[(4-methylpiperazine-1-carbonyl)amino]propanoyl]amino]piperidine-1-carboxylic acid Traditional Name: 2-cyano-4-[[3-cyclohexyl-2-[(4-methylpiperazine-1-carbonyl)amino]propanoyl]amino]piperidine-1-carboxylic acid Formula: C22H36N6O4 MolecularWeight: 448.55904

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)NC(CC2CCCCC2)C(=O)NC3CCN(C(C3)C#N)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C(=O)NC(CC2CCCCC2)C(=O)NC3CCN(C(C3)C#N)C(=O)O

InChI

InChI=1S/C22H36N6O4/c1-26-9-11-27(12-10-26)21(30)25-19(13-16-5-3-2-4-6-16)20(29)24-17-7-8-28(22(31)32)18(14-17)15-23/h16-19H,2-14H2,1H3,(H,24,29)(H,25,30)(H,31,32)