3-cyano-3-[[2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxidanylidene-butanoyl]amino]pyrrolidine-1-carboxylic acid

Systemtic Name: 3-cyano-3-[[2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxidanylidene-butanoyl]amino]pyrrolidine-1-carboxylic acid Openeye Name: 3-cyano-3-[[2-(cyclohexylmethyl)-4-morpholino-4-oxo-butanoyl]amino]pyrrolidine-1-carboxylic acid CAS Name: 3-cyano-3-[[2-(cyclohexylmethyl)-4-(4-morpholinyl)-1,4-dioxobutyl]amino]-1-pyrrolidinecarboxylic acid IUPAC Name: 3-cyano-3-[[2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]pyrrolidine-1-carboxylic acid Traditional Name: 3-cyano-3-[[2-(cyclohexylmethyl)-4-keto-4-morpholino-butanoyl]amino]pyrrolidine-1-carboxylic acid Formula: C21H32N4O5 MolecularWeight: 420.50258

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(CC(=O)N2CCOCC2)C(=O)NC3(CCN(C3)C(=O)O)C#N

Isomeric SMILES

C1CCC(CC1)CC(CC(=O)N2CCOCC2)C(=O)NC3(CCN(C3)C(=O)O)C#N

InChI

InChI=1S/C21H32N4O5/c22-14-21(6-7-25(15-21)20(28)29)23-19(27)17(12-16-4-2-1-3-5-16)13-18(26)24-8-10-30-11-9-24/h16-17H,1-13,15H2,(H,23,27)(H,28,29)