4-cyano-4-[[3-cyclohexyl-2-(piperidin-4-ylcarbonylamino)propanoyl]amino]piperidine-1-carboxylic acid

Systemtic Name: 4-cyano-4-[[3-cyclohexyl-2-(piperidin-4-ylcarbonylamino)propanoyl]amino]piperidine-1-carboxylic acid Openeye Name: 4-cyano-4-[[3-cyclohexyl-2-(piperidine-4-carbonylamino)propanoyl]amino]piperidine-1-carboxylic acid CAS Name: 4-cyano-4-[[3-cyclohexyl-1-oxo-2-[[oxo(4-piperidinyl)methyl]amino]propyl]amino]-1-piperidinecarboxylic acid IUPAC Name: 4-cyano-4-[[3-cyclohexyl-2-(piperidine-4-carbonylamino)propanoyl]amino]piperidine-1-carboxylic acid Traditional Name: 4-cyano-4-[[3-cyclohexyl-2-(isonipecotoylamino)propanoyl]amino]piperidine-1-carboxylic acid Formula: C22H35N5O4 MolecularWeight: 433.5444

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)NC2(CCN(CC2)C(=O)O)C#N)NC(=O)C3CCNCC3

Isomeric SMILES

C1CCC(CC1)CC(C(=O)NC2(CCN(CC2)C(=O)O)C#N)NC(=O)C3CCNCC3

InChI

InChI=1S/C22H35N5O4/c23-15-22(8-12-27(13-9-22)21(30)31)26-20(29)18(14-16-4-2-1-3-5-16)25-19(28)17-6-10-24-11-7-17/h16-18,24H,1-14H2,(H,25,28)(H,26,29)(H,30,31)