(phenylmethyl) 3-cyano-3-[[3-cyclohexyl-2-(morpholin-4-ylcarbonylamino)propanoyl]amino]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 3-cyano-3-[[3-cyclohexyl-2-(morpholin-4-ylcarbonylamino)propanoyl]amino]pyrrolidine-1-carboxylate Openeye Name: benzyl 3-cyano-3-[[3-cyclohexyl-2-(morpholine-4-carbonylamino)propanoyl]amino]pyrrolidine-1-carboxylate CAS Name: 3-cyano-3-[[3-cyclohexyl-2-[[4-morpholinyl(oxo)methyl]amino]-1-oxopropyl]amino]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-cyano-3-[[3-cyclohexyl-2-(morpholine-4-carbonylamino)propanoyl]amino]pyrrolidine-1-carboxylate Traditional Name: 3-cyano-3-[[3-cyclohexyl-2-(morpholine-4-carbonylamino)propanoyl]amino]pyrrolidine-1-carboxylic acid benzyl ester Formula: C27H37N5O5 MolecularWeight: 511.61318

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)NC2(CCN(C2)C(=O)OCC3=CC=CC=C3)C#N)NC(=O)N4CCOCC4

Isomeric SMILES

C1CCC(CC1)CC(C(=O)NC2(CCN(C2)C(=O)OCC3=CC=CC=C3)C#N)NC(=O)N4CCOCC4

InChI

InChI=1S/C27H37N5O5/c28-19-27(11-12-32(20-27)26(35)37-18-22-9-5-2-6-10-22)30-24(33)23(17-21-7-3-1-4-8-21)29-25(34)31-13-15-36-16-14-31/h2,5-6,9-10,21,23H,1,3-4,7-8,11-18,20H2,(H,29,34)(H,30,33)