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

Systemtic Name: (2S)-3-methyl-2-[[2-methyl-2-(4-methylpiperazin-1-ium-1-yl)propanoyl]amino]butanoate Openeye Name: (2S)-3-methyl-2-[[2-methyl-2-(4-methylpiperazin-1-ium-1-yl)propanoyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[2-methyl-2-(4-methyl-1-piperazin-1-iumyl)-1-oxopropyl]amino]butanoate IUPAC Name: (2S)-3-methyl-2-[[2-methyl-2-(4-methylpiperazin-1-ium-1-yl)propanoyl]amino]butanoate Traditional Name: (2S)-3-methyl-2-[[2-methyl-2-(4-methylpiperazin-1-ium-1-yl)propanoyl]amino]butyrate Formula: C14H27N3O3 MolecularWeight: 285.38248

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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

Isomeric SMILES

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

InChI

InChI=1S/C14H27N3O3/c1-10(2)11(12(18)19)15-13(20)14(3,4)17-8-6-16(5)7-9-17/h10-11H,6-9H2,1-5H3,(H,15,20)(H,18,19)/t11-/m0/s1