(2S)-3-methyl-2-[[(2S)-2-piperidin-1-ium-1-ylpropanoyl]amino]butanoate

Systemtic Name: (2S)-3-methyl-2-[[(2S)-2-piperidin-1-ium-1-ylpropanoyl]amino]butanoate Openeye Name: (2S)-3-methyl-2-[[(2S)-2-piperidin-1-ium-1-ylpropanoyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[(2S)-1-oxo-2-(1-piperidin-1-iumyl)propyl]amino]butanoate IUPAC Name: (2S)-3-methyl-2-[[(2S)-2-piperidin-1-ium-1-ylpropanoyl]amino]butanoate Traditional Name: (2S)-3-methyl-2-[[(2S)-2-piperidin-1-ium-1-ylpropanoyl]amino]butyrate Formula: C13H24N2O3 MolecularWeight: 256.34126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)C(C)[NH+]1CCCCC1

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)[O-])[NH+]1CCCCC1

InChI

InChI=1S/C13H24N2O3/c1-9(2)11(13(17)18)14-12(16)10(3)15-7-5-4-6-8-15/h9-11H,4-8H2,1-3H3,(H,14,16)(H,17,18)/t10-,11-/m0/s1