(2S)-6-azaniumyl-2-[[(2R)-1-oxidanidyl-1-oxidanylidene-propan-2-yl]azaniumyl]hexanoate

Systemtic Name: (2S)-6-azaniumyl-2-[[(2R)-1-oxidanidyl-1-oxidanylidene-propan-2-yl]azaniumyl]hexanoate Openeye Name: (2S)-6-azaniumyl-2-[[(1R)-1-methyl-2-oxido-2-oxo-ethyl]ammonio]hexanoate CAS Name: (2S)-6-ammonio-2-[[(2R)-1-oxido-1-oxopropan-2-yl]ammonio]hexanoate IUPAC Name: (2S)-6-azaniumyl-2-[[(2R)-1-oxido-1-oxopropan-2-yl]azaniumyl]hexanoate Traditional Name: (2S)-6-ammonio-2-[[(1R)-2-keto-1-methyl-2-oxido-ethyl]ammonio]hexanoate Formula: C9H18N2O4 MolecularWeight: 218.25022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])[NH2+]C(CCCC[NH3+])C(=O)[O-]

Isomeric SMILES

C[C@H](C(=O)[O-])[NH2+][C@@H](CCCC[NH3+])C(=O)[O-]

InChI

InChI=1S/C9H18N2O4/c1-6(8(12)13)11-7(9(14)15)4-2-3-5-10/h6-7,11H,2-5,10H2,1H3,(H,12,13)(H,14,15)/t6-,7+/m1/s1