N-[5-(tert-butylsulfonylmethyl)-6-cyclohexyl-2-methyl-4-oxidanyl-4-(3-phenylpropanoylamino)hexan-3-yl]-2-(1H-imidazol-5-yl)propanamide

Systemtic Name: N-[5-(tert-butylsulfonylmethyl)-6-cyclohexyl-2-methyl-4-oxidanyl-4-(3-phenylpropanoylamino)hexan-3-yl]-2-(1H-imidazol-5-yl)propanamide Openeye Name: N-[3-(tert-butylsulfonylmethyl)-4-cyclohexyl-2-hydroxy-1-isopropyl-2-(3-phenylpropanoylamino)butyl]-2-(1H-imidazol-5-yl)propanamide CAS Name: N-[5-(tert-butylsulfonylmethyl)-6-cyclohexyl-4-hydroxy-2-methyl-4-[(1-oxo-3-phenylpropyl)amino]hexan-3-yl]-2-(1H-imidazol-5-yl)propanamide IUPAC Name: N-[5-(tert-butylsulfonylmethyl)-6-cyclohexyl-4-hydroxy-2-methyl-4-(3-phenylpropanoylamino)hexan-3-yl]-2-(1H-imidazol-5-yl)propanamide Traditional Name: N-[3-(tert-butylsulfonylmethyl)-4-cyclohexyl-2-(hydrocinnamoylamino)-2-hydroxy-1-isopropyl-butyl]-2-(1H-imidazol-5-yl)propionamide Formula: C33H52N4O5S MolecularWeight: 616.85478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C(CC1CCCCC1)CS(=O)(=O)C(C)(C)C)(NC(=O)CCC2=CC=CC=C2)O)NC(=O)C(C)C3=CN=CN3

Isomeric SMILES

CC(C)C(C(C(CC1CCCCC1)CS(=O)(=O)C(C)(C)C)(NC(=O)CCC2=CC=CC=C2)O)NC(=O)C(C)C3=CN=CN3

InChI

InChI=1S/C33H52N4O5S/c1-23(2)30(36-31(39)24(3)28-20-34-22-35-28)33(40,37-29(38)18-17-25-13-9-7-10-14-25)27(19-26-15-11-8-12-16-26)21-43(41,42)32(4,5)6/h7,9-10,13-14,20,22-24,26-27,30,40H,8,11-12,15-19,21H2,1-6H3,(H,34,35)(H,36,39)(H,37,38)