(2S)-2-[[2-(4-ethanoylpiperazin-1-ium-1-yl)-2-methyl-propanoyl]amino]propanoate

Systemtic Name: (2S)-2-[[2-(4-ethanoylpiperazin-1-ium-1-yl)-2-methyl-propanoyl]amino]propanoate Openeye Name: (2S)-2-[[2-(4-acetylpiperazin-1-ium-1-yl)-2-methyl-propanoyl]amino]propanoate CAS Name: (2S)-2-[[2-(4-acetyl-1-piperazin-1-iumyl)-2-methyl-1-oxopropyl]amino]propanoate IUPAC Name: (2S)-2-[[2-(4-acetylpiperazin-1-ium-1-yl)-2-methylpropanoyl]amino]propanoate Traditional Name: (2S)-2-[[2-(4-acetylpiperazin-1-ium-1-yl)-2-methyl-propanoyl]amino]propionate Formula: C13H23N3O4 MolecularWeight: 285.33942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H23N3O4/c1-9(11(18)19)14-12(20)13(3,4)16-7-5-15(6-8-16)10(2)17/h9H,5-8H2,1-4H3,(H,14,20)(H,18,19)/t9-/m0/s1