N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-4-(3-morpholin-4-ylpropanoylamino)benzamide

Systemtic Name: N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-4-(3-morpholin-4-ylpropanoylamino)benzamide Openeye Name: N-[(1S)-1-(cyanomethylcarbamoyl)-3-methyl-butyl]-4-(3-morpholinopropanoylamino)benzamide CAS Name: N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-[[3-(4-morpholinyl)-1-oxopropyl]amino]benzamide IUPAC Name: N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-(3-morpholin-4-ylpropanoylamino)benzamide Traditional Name: N-[(1S)-1-(cyanomethylcarbamoyl)-3-methyl-butyl]-4-(3-morpholinopropanoylamino)benzamide Formula: C22H31N5O4 MolecularWeight: 429.51264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC(=O)C1=CC=C(C=C1)NC(=O)CCN2CCOCC2

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC#N)NC(=O)C1=CC=C(C=C1)NC(=O)CCN2CCOCC2

InChI

InChI=1S/C22H31N5O4/c1-16(2)15-19(22(30)24-9-8-23)26-21(29)17-3-5-18(6-4-17)25-20(28)7-10-27-11-13-31-14-12-27/h3-6,16,19H,7,9-15H2,1-2H3,(H,24,30)(H,25,28)(H,26,29)/t19-/m0/s1