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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)CCCN1CC[NH+](CC1)C

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NC(=O)CCCN1CC[NH+](CC1)C

InChI

InChI=1S/C14H27N3O3/c1-11(2)13(14(19)20)15-12(18)5-4-6-17-9-7-16(3)8-10-17/h11,13H,4-10H2,1-3H3,(H,15,18)(H,19,20)/t13-/m0/s1