[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-oxidanylidenepiperazine-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] 3-oxidanylidenepiperazine-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] 3-oxopiperazine-1-carboxylate CAS Name: 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] 3-oxopiperazine-1-carboxylate Traditional Name: 3-ketopiperazine-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: C35H52N6O6 MolecularWeight: 652.82398

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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)N4CCNC(=O)C4)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)N4CCNC(=O)C4)N)O

InChI

InChI=1S/C35H52N6O6/c1-24(2)14-15-28(42)20-35(36,26-12-8-5-9-13-26)32(44)29(19-27-21-37-23-39-27)40(3)33(45)30(18-25-10-6-4-7-11-25)47-34(46)41-17-16-38-31(43)22-41/h4,6-7,10-11,21,23-24,26,28-30,42H,5,8-9,12-20,22,36H2,1-3H3,(H,37,39)(H,38,43)