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

Systemtic Name: 3-cyano-3-[[3-cyclohexyl-2-(morpholin-4-ylcarbonylamino)propanoyl]amino]pyrrolidine-1-carboxylic acid Openeye Name: 3-cyano-3-[[3-cyclohexyl-2-(morpholine-4-carbonylamino)propanoyl]amino]pyrrolidine-1-carboxylic acid CAS Name: 3-cyano-3-[[3-cyclohexyl-2-[[4-morpholinyl(oxo)methyl]amino]-1-oxopropyl]amino]-1-pyrrolidinecarboxylic acid IUPAC Name: 3-cyano-3-[[3-cyclohexyl-2-(morpholine-4-carbonylamino)propanoyl]amino]pyrrolidine-1-carboxylic acid Traditional Name: 3-cyano-3-[[3-cyclohexyl-2-(morpholine-4-carbonylamino)propanoyl]amino]pyrrolidine-1-carboxylic acid Formula: C20H31N5O5 MolecularWeight: 421.49064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)NC2(CCN(C2)C(=O)O)C#N)NC(=O)N3CCOCC3

Isomeric SMILES

C1CCC(CC1)CC(C(=O)NC2(CCN(C2)C(=O)O)C#N)NC(=O)N3CCOCC3

InChI

InChI=1S/C20H31N5O5/c21-13-20(6-7-25(14-20)19(28)29)23-17(26)16(12-15-4-2-1-3-5-15)22-18(27)24-8-10-30-11-9-24/h15-16H,1-12,14H2,(H,22,27)(H,23,26)(H,28,29)