(2R)-2-[[(2S)-3-methyl-2-(4-methylpiperazin-1-ium-1-yl)butanoyl]amino]propanoate

Systemtic Name: (2R)-2-[[(2S)-3-methyl-2-(4-methylpiperazin-1-ium-1-yl)butanoyl]amino]propanoate Openeye Name: (2R)-2-[[(2S)-3-methyl-2-(4-methylpiperazin-1-ium-1-yl)butanoyl]amino]propanoate CAS Name: (2R)-2-[[(2S)-3-methyl-2-(4-methyl-1-piperazin-1-iumyl)-1-oxobutyl]amino]propanoate IUPAC Name: (2R)-2-[[(2S)-3-methyl-2-(4-methylpiperazin-1-ium-1-yl)butanoyl]amino]propanoate Traditional Name: (2R)-2-[[(2S)-3-methyl-2-(4-methylpiperazin-1-ium-1-yl)butanoyl]amino]propionate Formula: C13H25N3O3 MolecularWeight: 271.3559

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H25N3O3/c1-9(2)11(12(17)14-10(3)13(18)19)16-7-5-15(4)6-8-16/h9-11H,5-8H2,1-4H3,(H,14,17)(H,18,19)/t10-,11+/m1/s1