(2S)-2-[[2,2-dimethyl-3-(4-methylpiperazin-4-ium-1-yl)propanoyl]amino]propanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])NC(=O)C(C)(C)CN1CC[NH+](CC1)C

Isomeric SMILES

C[C@@H](C(=O)[O-])NC(=O)C(C)(C)CN1CC[NH+](CC1)C

InChI

InChI=1S/C13H25N3O3/c1-10(11(17)18)14-12(19)13(2,3)9-16-7-5-15(4)6-8-16/h10H,5-9H2,1-4H3,(H,14,19)(H,17,18)/t10-/m0/s1