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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)NC2(CCN(C2C(=O)O)CC3=CC=CC=C3)C#N)NC(=O)N4CCOCC4

Isomeric SMILES

C1CCC(CC1)CC(C(=O)NC2(CCN(C2C(=O)O)CC3=CC=CC=C3)C#N)NC(=O)N4CCOCC4

InChI

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