[(2R,3S)-5-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-1-[(2-methylpropan-2-yl)oxy]-1,5-bis(oxidanylidene)-3-phenyl-pentan-2-yl]azanium chloride

Systemtic Name: [(2R,3S)-5-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-1-[(2-methylpropan-2-yl)oxy]-1,5-bis(oxidanylidene)-3-phenyl-pentan-2-yl]azanium chloride Openeye Name: [(1R,2S)-1-tert-butoxycarbonyl-4-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]-4-oxo-2-phenyl-butyl]ammonium chloride CAS Name: [(2R,3S)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-[(2-methylpropan-2-yl)oxy]-1,5-dioxo-3-phenylpentan-2-yl]ammonium chloride IUPAC Name: [(2R,3S)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-[(2-methylpropan-2-yl)oxy]-1,5-dioxo-3-phenylpentan-2-yl]azanium chloride Traditional Name: [(1R,2S)-1-tert-butoxycarbonyl-4-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]-4-keto-2-phenyl-butyl]ammonium chloride Formula: C25H40ClNO4 MolecularWeight: 454.0424

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CC(C2=CC=CC=C2)C(C(=O)OC(C)(C)C)[NH3+])C(C)C.[Cl-]

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C[C@@H](C2=CC=CC=C2)[C@H](C(=O)OC(C)(C)C)[NH3+])C(C)C.[Cl-]

InChI

InChI=1S/C25H39NO4.ClH/c1-16(2)19-13-12-17(3)14-21(19)29-22(27)15-20(18-10-8-7-9-11-18)23(26)24(28)30-25(4,5)6;/h7-11,16-17,19-21,23H,12-15,26H2,1-6H3;1H/t17-,19+,20+,21-,23-;/m1./s1