2-tert-butylsulfonyl-N-[2-cyclohexyl-1-(3-cyclopropyl-2-oxidanylidene-1,3-oxazol-5-yl)-1-oxidanyl-ethyl]-3-(1H-imidazol-5-yl)-2-(3-phenylpropanoylamino)propanamide

Systemtic Name: 2-tert-butylsulfonyl-N-[2-cyclohexyl-1-(3-cyclopropyl-2-oxidanylidene-1,3-oxazol-5-yl)-1-oxidanyl-ethyl]-3-(1H-imidazol-5-yl)-2-(3-phenylpropanoylamino)propanamide Openeye Name: 2-tert-butylsulfonyl-N-[2-cyclohexyl-1-(3-cyclopropyl-2-oxo-oxazol-5-yl)-1-hydroxy-ethyl]-3-(1H-imidazol-5-yl)-2-(3-phenylpropanoylamino)propanamide CAS Name: 2-tert-butylsulfonyl-N-[2-cyclohexyl-1-(3-cyclopropyl-2-oxo-5-oxazolyl)-1-hydroxyethyl]-3-(1H-imidazol-5-yl)-2-[(1-oxo-3-phenylpropyl)amino]propanamide IUPAC Name: 2-tert-butylsulfonyl-N-[2-cyclohexyl-1-(3-cyclopropyl-2-oxo-1,3-oxazol-5-yl)-1-hydroxyethyl]-3-(1H-imidazol-5-yl)-2-(3-phenylpropanoylamino)propanamide Traditional Name: 2-tert-butylsulfonyl-N-[2-cyclohexyl-1-(3-cyclopropyl-2-keto-4-oxazolin-5-yl)-1-hydroxy-ethyl]-2-(hydrocinnamoylamino)-3-(1H-imidazol-5-yl)propionamide Formula: C33H45N5O7S MolecularWeight: 655.8047

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S(=O)(=O)C(CC1=CN=CN1)(C(=O)NC(CC2CCCCC2)(C3=CN(C(=O)O3)C4CC4)O)NC(=O)CCC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)S(=O)(=O)C(CC1=CN=CN1)(C(=O)NC(CC2CCCCC2)(C3=CN(C(=O)O3)C4CC4)O)NC(=O)CCC5=CC=CC=C5

InChI

InChI=1S/C33H45N5O7S/c1-31(2,3)46(43,44)33(19-25-20-34-22-35-25,36-28(39)17-14-23-10-6-4-7-11-23)29(40)37-32(42,18-24-12-8-5-9-13-24)27-21-38(26-15-16-26)30(41)45-27/h4,6-7,10-11,20-22,24,26,42H,5,8-9,12-19H2,1-3H3,(H,34,35)(H,36,39)(H,37,40)