[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]oxycarbonyl-dimethyl-phenethyloxycarbonyl-azanium

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]oxycarbonyl-dimethyl-phenethyloxycarbonyl-azanium 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-ethoxy]carbonyl-dimethyl-phenethyloxycarbonyl-ammonium CAS 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]oxy-oxomethyl]-dimethyl-[oxo(phenethyloxy)methyl]ammonium 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]oxycarbonyl-dimethyl-phenethyloxycarbonylazanium Traditional Name: [2-[[3-amino-3-cyclohexyl-5-hydroxy-1-(1H-imidazol-5-ylmethyl)-2-keto-8-methyl-nonyl]-methyl-amino]-1-benzyl-2-keto-ethoxy]carbonyl-dimethyl-phenethyloxycarbonyl-ammonium Formula: C42H60N5O7+ MolecularWeight: 746.9551

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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)[N+](C)(C)C(=O)OCCC4=CC=CC=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)[N+](C)(C)C(=O)OCCC4=CC=CC=C4)N)O

InChI

InChI=1S/C42H60N5O7/c1-30(2)21-22-35(48)27-42(43,33-19-13-8-14-20-33)38(49)36(26-34-28-44-29-45-34)46(3)39(50)37(25-32-17-11-7-12-18-32)54-41(52)47(4,5)40(51)53-24-23-31-15-9-6-10-16-31/h6-7,9-12,15-18,28-30,33,35-37,48H,8,13-14,19-27,43H2,1-5H3,(H,44,45)/q+1