[(2S,3R)-2-methoxycarbonyl-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]hexyl]azanium methanoate

Systemtic Name: [(2S,3R)-2-methoxycarbonyl-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]hexyl]azanium methanoate Openeye Name: [(2S,3R)-3-tert-butoxycarbonyl-2-methoxycarbonyl-5-methyl-hexyl]ammonium formate CAS Name: [(2S,3R)-2-methoxycarbonyl-5-methyl-3-[(2-methylpropan-2-yl)oxy-oxomethyl]hexyl]ammonium formate IUPAC Name: [(2S,3R)-2-methoxycarbonyl-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]hexyl]azanium formate Traditional Name: [(2S,3R)-3-tert-butoxycarbonyl-2-carbomethoxy-5-methyl-hexyl]ammonium formate Formula: C15H29NO6 MolecularWeight: 319.39386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(C[NH3+])C(=O)OC)C(=O)OC(C)(C)C.C(=O)[O-]

Isomeric SMILES

CC(C)C[C@H]([C@@H](C[NH3+])C(=O)OC)C(=O)OC(C)(C)C.C(=O)[O-]

InChI

InChI=1S/C14H27NO4.CH2O2/c1-9(2)7-10(11(8-15)12(16)18-6)13(17)19-14(3,4)5;2-1-3/h9-11H,7-8,15H2,1-6H3;1H,(H,2,3)/t10-,11-;/m1./s1