(2S)-2-azaniumyl-6-(pyridin-3-ylcarbonylamino)hexanoate

Systemtic Name: (2S)-2-azaniumyl-6-(pyridin-3-ylcarbonylamino)hexanoate Openeye Name: (2S)-2-azaniumyl-6-(pyridine-3-carbonylamino)hexanoate CAS Name: (2S)-2-ammonio-6-[[oxo(3-pyridinyl)methyl]amino]hexanoate IUPAC Name: (2S)-2-azaniumyl-6-(pyridine-3-carbonylamino)hexanoate Traditional Name: (2S)-2-ammonio-6-nicotinamido-hexanoate Formula: C12H17N3O3 MolecularWeight: 251.28168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)NCCCCC(C(=O)[O-])[NH3+]

Isomeric SMILES

C1=CC(=CN=C1)C(=O)NCCCC[C@@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C12H17N3O3/c13-10(12(17)18)5-1-2-7-15-11(16)9-4-3-6-14-8-9/h3-4,6,8,10H,1-2,5,7,13H2,(H,15,16)(H,17,18)/t10-/m0/s1