4-[2-cyano-2-[[2-[(1-methylindol-2-yl)carbonylamino]cyclohexyl]carbonylamino]ethyl]piperidine-1-carboxylic acid

Systemtic Name: 4-[2-cyano-2-[[2-[(1-methylindol-2-yl)carbonylamino]cyclohexyl]carbonylamino]ethyl]piperidine-1-carboxylic acid Openeye Name: 4-[2-cyano-2-[[2-[(1-methylindole-2-carbonyl)amino]cyclohexanecarbonyl]amino]ethyl]piperidine-1-carboxylic acid CAS Name: 4-[2-cyano-2-[[[2-[[(1-methyl-2-indolyl)-oxomethyl]amino]cyclohexyl]-oxomethyl]amino]ethyl]-1-piperidinecarboxylic acid IUPAC Name: 4-[2-cyano-2-[[2-[(1-methylindole-2-carbonyl)amino]cyclohexanecarbonyl]amino]ethyl]piperidine-1-carboxylic acid Traditional Name: 4-[2-cyano-2-[[2-[(1-methylindole-2-carbonyl)amino]cyclohexanecarbonyl]amino]ethyl]piperidine-1-carboxylic acid Formula: C26H33N5O4 MolecularWeight: 479.57132

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C=C1C(=O)NC3CCCCC3C(=O)NC(CC4CCN(CC4)C(=O)O)C#N

Isomeric SMILES

CN1C2=CC=CC=C2C=C1C(=O)NC3CCCCC3C(=O)NC(CC4CCN(CC4)C(=O)O)C#N

InChI

InChI=1S/C26H33N5O4/c1-30-22-9-5-2-6-18(22)15-23(30)25(33)29-21-8-4-3-7-20(21)24(32)28-19(16-27)14-17-10-12-31(13-11-17)26(34)35/h2,5-6,9,15,17,19-21H,3-4,7-8,10-14H2,1H3,(H,28,32)(H,29,33)(H,34,35)