[(3S)-6-(dimethylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-6-oxidanylidene-hexyl]azanium ethanoate

Systemtic Name: [(3S)-6-(dimethylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-6-oxidanylidene-hexyl]azanium ethanoate Openeye Name: [(3S)-3-(tert-butoxycarbonylamino)-6-(dimethylamino)-2-hydroxy-6-oxo-hexyl]ammonium acetate CAS Name: [(3S)-6-(dimethylamino)-2-hydroxy-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-oxohexyl]ammonium acetate IUPAC Name: [(3S)-6-(dimethylamino)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexyl]azanium acetate Traditional Name: [(3S)-3-(tert-butoxycarbonylamino)-6-(dimethylamino)-2-hydroxy-6-keto-hexyl]ammonium acetate Formula: C15H31N3O6 MolecularWeight: 349.42314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H27N3O4.C2H4O2/c1-13(2,3)20-12(19)15-9(10(17)8-14)6-7-11(18)16(4)5;1-2(3)4/h9-10,17H,6-8,14H2,1-5H3,(H,15,19);1H3,(H,3,4)/t9-,10?;/m0./s1