2-[[(2S)-2-(4-ethanoylpiperazin-1-ium-1-yl)-3-methyl-butanoyl]amino]ethanoate

Systemtic Name: 2-[[(2S)-2-(4-ethanoylpiperazin-1-ium-1-yl)-3-methyl-butanoyl]amino]ethanoate Openeye Name: 2-[[(2S)-2-(4-acetylpiperazin-1-ium-1-yl)-3-methyl-butanoyl]amino]acetate CAS Name: 2-[[(2S)-2-(4-acetyl-1-piperazin-1-iumyl)-3-methyl-1-oxobutyl]amino]acetate IUPAC Name: 2-[[(2S)-2-(4-acetylpiperazin-1-ium-1-yl)-3-methylbutanoyl]amino]acetate Traditional Name: 2-[[(2S)-2-(4-acetylpiperazin-1-ium-1-yl)-3-methyl-butanoyl]amino]acetate Formula: C13H23N3O4 MolecularWeight: 285.33942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC(=O)[O-])[NH+]1CCN(CC1)C(=O)C

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC(=O)[O-])[NH+]1CCN(CC1)C(=O)C

InChI

InChI=1S/C13H23N3O4/c1-9(2)12(13(20)14-8-11(18)19)16-6-4-15(5-7-16)10(3)17/h9,12H,4-8H2,1-3H3,(H,14,20)(H,18,19)/t12-/m0/s1