carboniodidoyl-[2-(1H-imidazol-5-ylmethyl)-1-[(2-methylpropan-2-yl)oxy]-3-oxidanyl-1,3-bis(oxidanylidene)propan-2-yl]-methyl-[(2-methylpropan-2-yl)oxycarbonyl]azanium

Systemtic Name: carboniodidoyl-[2-(1H-imidazol-5-ylmethyl)-1-[(2-methylpropan-2-yl)oxy]-3-oxidanyl-1,3-bis(oxidanylidene)propan-2-yl]-methyl-[(2-methylpropan-2-yl)oxycarbonyl]azanium Openeye Name: tert-butoxycarbonyl-[1-tert-butoxycarbonyl-2-hydroxy-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]-iodocarbonyl-methyl-ammonium CAS Name: carboniodidoyl-[1-hydroxy-2-(1H-imidazol-5-ylmethyl)-3-[(2-methylpropan-2-yl)oxy]-1,3-dioxopropan-2-yl]-methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]ammonium IUPAC Name: carboniodidoyl-[1-hydroxy-2-(1H-imidazol-5-ylmethyl)-3-[(2-methylpropan-2-yl)oxy]-1,3-dioxopropan-2-yl]-methyl-[(2-methylpropan-2-yl)oxycarbonyl]azanium Traditional Name: tert-butoxycarbonyl-[1-tert-butoxycarbonyl-2-hydroxy-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]-iodocarbonyl-methyl-ammonium Formula: C18H27IN3O7+ MolecularWeight: 524.32735

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CN=CN1)(C(=O)O)[N+](C)(C(=O)OC(C)(C)C)C(=O)I

Isomeric SMILES

CC(C)(C)OC(=O)C(CC1=CN=CN1)(C(=O)O)[N+](C)(C(=O)OC(C)(C)C)C(=O)I

InChI

InChI=1S/C18H26IN3O7/c1-16(2,3)28-13(25)18(12(23)24,8-11-9-20-10-21-11)22(7,14(19)26)15(27)29-17(4,5)6/h9-10H,8H2,1-7H3,(H-,20,21,23,24)/p+1