N-[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-piperazine-1-carboxamide

Systemtic Name: N-[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-piperazine-1-carboxamide Openeye Name: N-[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-piperazine-1-carboxamide CAS Name: N-[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-1-piperazinecarboxamide IUPAC Name: N-[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-methylpiperazine-1-carboxamide Traditional Name: N-[2-[[3-amino-3-cyclohexyl-5-hydroxy-1-(1H-imidazol-5-ylmethyl)-2-keto-8-methyl-nonyl]-methyl-amino]-1-benzyl-2-keto-ethyl]-4-methyl-piperazine-1-carboxamide Formula: C36H57N7O4 MolecularWeight: 651.88228

Click to see the large picture

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)NC(=O)N4CCN(CC4)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)NC(=O)N4CCN(CC4)C)N)O

InChI

InChI=1S/C36H57N7O4/c1-26(2)15-16-30(44)23-36(37,28-13-9-6-10-14-28)33(45)32(22-29-24-38-25-39-29)42(4)34(46)31(21-27-11-7-5-8-12-27)40-35(47)43-19-17-41(3)18-20-43/h5,7-8,11-12,24-26,28,30-32,44H,6,9-10,13-23,37H2,1-4H3,(H,38,39)(H,40,47)