(2S,3S)-3-methyl-2-[3-(4-methylpiperazin-4-ium-1-yl)propanoylamino]pentanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)CCN1CC[NH+](CC1)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])NC(=O)CCN1CC[NH+](CC1)C

InChI

InChI=1S/C14H27N3O3/c1-4-11(2)13(14(19)20)15-12(18)5-6-17-9-7-16(3)8-10-17/h11,13H,4-10H2,1-3H3,(H,15,18)(H,19,20)/t11-,13-/m0/s1