(2S,3S)-3-azaniumyl-5-methyl-2-oxidanyl-hexanoate

Systemtic Name: (2S,3S)-3-azaniumyl-5-methyl-2-oxidanyl-hexanoate Openeye Name: (2S,3S)-3-azaniumyl-2-hydroxy-5-methyl-hexanoate CAS Name: (2S,3S)-3-ammonio-2-hydroxy-5-methylhexanoate IUPAC Name: (2S,3S)-3-azaniumyl-2-hydroxy-5-methylhexanoate Traditional Name: (2S,3S)-3-ammonio-2-hydroxy-5-methyl-hexanoate Formula: C7H15NO3 MolecularWeight: 161.1989

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H15NO3/c1-4(2)3-5(8)6(9)7(10)11/h4-6,9H,3,8H2,1-2H3,(H,10,11)/t5-,6-/m0/s1