[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] 4-methyl-3-oxidanylidene-piperazine-1-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] 4-methyl-3-oxidanylidene-piperazine-1-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] 4-methyl-3-oxo-piperazine-1-carboxylate CAS Name: 4-methyl-3-oxo-1-piperazinecarboxylic 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] 4-methyl-3-oxopiperazine-1-carboxylate Traditional Name: 3-keto-4-methyl-piperazine-1-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: C36H54N6O6 MolecularWeight: 666.85056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CC(C1CCCCC1)(C(=O)C(CC2=CN=CN2)N(C)C(=O)C(CC3=CC=CC=C3)OC(=O)N4CCN(C(=O)C4)C)N)O

Isomeric SMILES

CC(C)CCC(CC(C1CCCCC1)(C(=O)C(CC2=CN=CN2)N(C)C(=O)C(CC3=CC=CC=C3)OC(=O)N4CCN(C(=O)C4)C)N)O

InChI

InChI=1S/C36H54N6O6/c1-25(2)15-16-29(43)21-36(37,27-13-9-6-10-14-27)33(45)30(20-28-22-38-24-39-28)41(4)34(46)31(19-26-11-7-5-8-12-26)48-35(47)42-18-17-40(3)32(44)23-42/h5,7-8,11-12,22,24-25,27,29-31,43H,6,9-10,13-21,23,37H2,1-4H3,(H,38,39)