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

Systemtic Name: (2S)-2-[[2-(4-ethanoylpiperazin-1-ium-1-yl)-2-methyl-propanoyl]amino]-3-methyl-butanoate Openeye Name: (2S)-2-[[2-(4-acetylpiperazin-1-ium-1-yl)-2-methyl-propanoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[2-(4-acetyl-1-piperazin-1-iumyl)-2-methyl-1-oxopropyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[[2-(4-acetylpiperazin-1-ium-1-yl)-2-methylpropanoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[2-(4-acetylpiperazin-1-ium-1-yl)-2-methyl-propanoyl]amino]-3-methyl-butyrate Formula: C15H27N3O4 MolecularWeight: 313.39258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H27N3O4/c1-10(2)12(13(20)21)16-14(22)15(4,5)18-8-6-17(7-9-18)11(3)19/h10,12H,6-9H2,1-5H3,(H,16,22)(H,20,21)/t12-/m0/s1