(2S)-2-[2-(4-ethanoylpiperazin-1-ium-1-yl)ethanoylamino]-3-methyl-butanoate

Systemtic Name: (2S)-2-[2-(4-ethanoylpiperazin-1-ium-1-yl)ethanoylamino]-3-methyl-butanoate Openeye Name: (2S)-2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[2-(4-acetyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-3-methyl-butyrate Formula: C13H23N3O4 MolecularWeight: 285.33942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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