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

Systemtic Name: 4-cyano-4-[[3-cyclohexyl-2-[(4-methylpiperazin-1-yl)carbonylamino]propanoyl]amino]piperidine-1-carboxylic acid Openeye Name: 4-cyano-4-[[3-cyclohexyl-2-[(4-methylpiperazine-1-carbonyl)amino]propanoyl]amino]piperidine-1-carboxylic acid CAS Name: 4-cyano-4-[[3-cyclohexyl-2-[[(4-methyl-1-piperazinyl)-oxomethyl]amino]-1-oxopropyl]amino]-1-piperidinecarboxylic acid IUPAC Name: 4-cyano-4-[[3-cyclohexyl-2-[(4-methylpiperazine-1-carbonyl)amino]propanoyl]amino]piperidine-1-carboxylic acid Traditional Name: 4-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)NC3(CCN(CC3)C(=O)O)C#N

Isomeric SMILES

CN1CCN(CC1)C(=O)NC(CC2CCCCC2)C(=O)NC3(CCN(CC3)C(=O)O)C#N

InChI

InChI=1S/C22H36N6O4/c1-26-11-13-27(14-12-26)20(30)24-18(15-17-5-3-2-4-6-17)19(29)25-22(16-23)7-9-28(10-8-22)21(31)32/h17-18H,2-15H2,1H3,(H,24,30)(H,25,29)(H,31,32)