N-[(2S)-1-(cyanomethylamino)-3-(3-ethyl-5-iodanyl-4-oxidanyl-phenyl)-1-oxidanylidene-propan-2-yl]-4-morpholin-4-yl-benzamide

Systemtic Name: N-[(2S)-1-(cyanomethylamino)-3-(3-ethyl-5-iodanyl-4-oxidanyl-phenyl)-1-oxidanylidene-propan-2-yl]-4-morpholin-4-yl-benzamide Openeye Name: N-[(1S)-2-(cyanomethylamino)-1-[(3-ethyl-4-hydroxy-5-iodo-phenyl)methyl]-2-oxo-ethyl]-4-morpholino-benzamide CAS Name: N-[(2S)-1-(cyanomethylamino)-3-(3-ethyl-4-hydroxy-5-iodophenyl)-1-oxopropan-2-yl]-4-(4-morpholinyl)benzamide IUPAC Name: N-[(2S)-1-(cyanomethylamino)-3-(3-ethyl-4-hydroxy-5-iodophenyl)-1-oxopropan-2-yl]-4-morpholin-4-ylbenzamide Traditional Name: N-[(1S)-2-(cyanomethylamino)-1-(3-ethyl-4-hydroxy-5-iodo-benzyl)-2-keto-ethyl]-4-morpholino-benzamide Formula: C24H27IN4O4 MolecularWeight: 562.40005

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC(=C1)CC(C(=O)NCC#N)NC(=O)C2=CC=C(C=C2)N3CCOCC3)I)O

Isomeric SMILES

CCC1=C(C(=CC(=C1)C[C@@H](C(=O)NCC#N)NC(=O)C2=CC=C(C=C2)N3CCOCC3)I)O

InChI

InChI=1S/C24H27IN4O4/c1-2-17-13-16(14-20(25)22(17)30)15-21(24(32)27-8-7-26)28-23(31)18-3-5-19(6-4-18)29-9-11-33-12-10-29/h3-6,13-14,21,30H,2,8-12,15H2,1H3,(H,27,32)(H,28,31)/t21-/m0/s1