[1-[[4-azanyl-4-cyclohexyl-1-(1H-imidazol-5-yl)-9-methyl-6-oxidanyl-3-oxidanylidene-decan-2-yl]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl] 3-(dimethylcarbamoyl)-2-methyl-morpholine-4-carboxylate

Systemtic Name: [1-[[4-azanyl-4-cyclohexyl-1-(1H-imidazol-5-yl)-9-methyl-6-oxidanyl-3-oxidanylidene-decan-2-yl]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl] 3-(dimethylcarbamoyl)-2-methyl-morpholine-4-carboxylate Openeye Name: [2-[[3-amino-3-cyclohexyl-5-hydroxy-1-(1H-imidazol-5-ylmethyl)-8-methyl-2-oxo-nonyl]-methyl-amino]-1-benzyl-2-oxo-ethyl] 3-(dimethylcarbamoyl)-2-methyl-morpholine-4-carboxylate CAS Name: 3-[dimethylamino(oxo)methyl]-2-methyl-4-morpholinecarboxylic acid [1-[[4-amino-4-cyclohexyl-6-hydroxy-1-(1H-imidazol-5-yl)-9-methyl-3-oxodecan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl] ester IUPAC Name: [1-[[4-amino-4-cyclohexyl-6-hydroxy-1-(1H-imidazol-5-yl)-9-methyl-3-oxodecan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl] 3-(dimethylcarbamoyl)-2-methylmorpholine-4-carboxylate Traditional Name: 3-(dimethylcarbamoyl)-2-methyl-morpholine-4-carboxylic acid [2-[[3-amino-3-cyclohexyl-5-hydroxy-1-(1H-imidazol-5-ylmethyl)-2-keto-8-methyl-nonyl]-methyl-amino]-1-benzyl-2-keto-ethyl] ester Formula: C39H60N6O7 MolecularWeight: 724.9297

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(CCO1)C(=O)OC(CC2=CC=CC=C2)C(=O)N(C)C(CC3=CN=CN3)C(=O)C(CC(CCC(C)C)O)(C4CCCCC4)N)C(=O)N(C)C

Isomeric SMILES

CC1C(N(CCO1)C(=O)OC(CC2=CC=CC=C2)C(=O)N(C)C(CC3=CN=CN3)C(=O)C(CC(CCC(C)C)O)(C4CCCCC4)N)C(=O)N(C)C

InChI

InChI=1S/C39H60N6O7/c1-26(2)17-18-31(46)23-39(40,29-15-11-8-12-16-29)35(47)32(22-30-24-41-25-42-30)44(6)36(48)33(21-28-13-9-7-10-14-28)52-38(50)45-19-20-51-27(3)34(45)37(49)43(4)5/h7,9-10,13-14,24-27,29,31-34,46H,8,11-12,15-23,40H2,1-6H3,(H,41,42)