[4-[3-azanyl-1-cyclohexyl-4-(1H-imidazol-5-yl)-1-(methylamino)-2-oxidanylidene-butyl]-8-methyl-5-oxidanyl-3-oxidanylidene-1-phenyl-nonan-2-yl] 3-oxidanylidenepiperazine-1-carboxylate

Systemtic Name: [4-[3-azanyl-1-cyclohexyl-4-(1H-imidazol-5-yl)-1-(methylamino)-2-oxidanylidene-butyl]-8-methyl-5-oxidanyl-3-oxidanylidene-1-phenyl-nonan-2-yl] 3-oxidanylidenepiperazine-1-carboxylate Openeye Name: [3-[3-amino-1-cyclohexyl-4-(1H-imidazol-5-yl)-1-(methylamino)-2-oxo-butyl]-1-benzyl-4-hydroxy-7-methyl-2-oxo-octyl] 3-oxopiperazine-1-carboxylate CAS Name: 3-oxo-1-piperazinecarboxylic acid [4-[3-amino-1-cyclohexyl-4-(1H-imidazol-5-yl)-1-(methylamino)-2-oxobutyl]-5-hydroxy-8-methyl-3-oxo-1-phenylnonan-2-yl] ester IUPAC Name: [4-[3-amino-1-cyclohexyl-4-(1H-imidazol-5-yl)-1-(methylamino)-2-oxobutyl]-5-hydroxy-8-methyl-3-oxo-1-phenylnonan-2-yl] 3-oxopiperazine-1-carboxylate Traditional Name: 3-ketopiperazine-1-carboxylic acid [3-[3-amino-1-cyclohexyl-4-(1H-imidazol-5-yl)-2-keto-1-(methylamino)butyl]-1-benzyl-4-hydroxy-2-keto-7-methyl-octyl] ester Formula: C35H52N6O6 MolecularWeight: 652.82398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C(C(=O)C(CC1=CC=CC=C1)OC(=O)N2CCNC(=O)C2)C(C3CCCCC3)(C(=O)C(CC4=CN=CN4)N)NC)O

Isomeric SMILES

CC(C)CCC(C(C(=O)C(CC1=CC=CC=C1)OC(=O)N2CCNC(=O)C2)C(C3CCCCC3)(C(=O)C(CC4=CN=CN4)N)NC)O

InChI

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