(2R)-2-[3-(4-ethylpiperazin-4-ium-1-yl)propanoylamino]-3-methyl-butanoate

Systemtic Name: (2R)-2-[3-(4-ethylpiperazin-4-ium-1-yl)propanoylamino]-3-methyl-butanoate Openeye Name: (2R)-2-[3-(4-ethylpiperazin-4-ium-1-yl)propanoylamino]-3-methyl-butanoate CAS Name: (2R)-2-[[3-(4-ethyl-1-piperazin-4-iumyl)-1-oxopropyl]amino]-3-methylbutanoate IUPAC Name: (2R)-2-[3-(4-ethylpiperazin-4-ium-1-yl)propanoylamino]-3-methylbutanoate Traditional Name: (2R)-2-[3-(4-ethylpiperazin-4-ium-1-yl)propanoylamino]-3-methyl-butyrate Formula: C14H27N3O3 MolecularWeight: 285.38248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H27N3O3/c1-4-16-7-9-17(10-8-16)6-5-12(18)15-13(11(2)3)14(19)20/h11,13H,4-10H2,1-3H3,(H,15,18)(H,19,20)/t13-/m1/s1