N-[4-(1-azanyl-1-oxidanylidene-propan-2-yl)-3-(1-cyclohexyl-4-cyclopropyl-3-oxidanyl-4-oxidanylidene-butan-2-yl)-1-(2,4-dinitrophenyl)-2H-imidazol-2-yl]-4-tert-butylsulfonyl-3-phenyl-butanamide

Systemtic Name: N-[4-(1-azanyl-1-oxidanylidene-propan-2-yl)-3-(1-cyclohexyl-4-cyclopropyl-3-oxidanyl-4-oxidanylidene-butan-2-yl)-1-(2,4-dinitrophenyl)-2H-imidazol-2-yl]-4-tert-butylsulfonyl-3-phenyl-butanamide Openeye Name: N-[4-(2-amino-1-methyl-2-oxo-ethyl)-3-[1-(cyclohexylmethyl)-3-cyclopropyl-2-hydroxy-3-oxo-propyl]-1-(2,4-dinitrophenyl)-2H-imidazol-2-yl]-4-tert-butylsulfonyl-3-phenyl-butanamide CAS Name: N-[4-(1-amino-1-oxopropan-2-yl)-3-(1-cyclohexyl-4-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)-1-(2,4-dinitrophenyl)-2H-imidazol-2-yl]-4-tert-butylsulfonyl-3-phenylbutanamide IUPAC Name: N-[4-(1-amino-1-oxopropan-2-yl)-3-(1-cyclohexyl-4-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)-1-(2,4-dinitrophenyl)-2H-imidazol-2-yl]-4-tert-butylsulfonyl-3-phenylbutanamide Traditional Name: N-[4-(2-amino-2-keto-1-methyl-ethyl)-3-[1-(cyclohexylmethyl)-3-cyclopropyl-2-hydroxy-3-keto-propyl]-1-(2,4-dinitrophenyl)-4-imidazolin-2-yl]-4-tert-butylsulfonyl-3-phenyl-butyramide Formula: C39H52N6O10S MolecularWeight: 796.92938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN(C(N1C(CC2CCCCC2)C(C(=O)C3CC3)O)NC(=O)CC(CS(=O)(=O)C(C)(C)C)C4=CC=CC=C4)C5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-])C(=O)N

Isomeric SMILES

CC(C1=CN(C(N1C(CC2CCCCC2)C(C(=O)C3CC3)O)NC(=O)CC(CS(=O)(=O)C(C)(C)C)C4=CC=CC=C4)C5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C39H52N6O10S/c1-24(37(40)49)33-22-42(30-18-17-29(44(50)51)21-31(30)45(52)53)38(43(33)32(19-25-11-7-5-8-12-25)36(48)35(47)27-15-16-27)41-34(46)20-28(26-13-9-6-10-14-26)23-56(54,55)39(2,3)4/h6,9-10,13-14,17-18,21-22,24-25,27-28,32,36,38,48H,5,7-8,11-12,15-16,19-20,23H2,1-4H3,(H2,40,49)(H,41,46)