methyl (2S)-4-methyl-2-[2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]ethanoylamino]pentanoate

Systemtic Name: methyl (2S)-4-methyl-2-[2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]ethanoylamino]pentanoate Openeye Name: methyl (2S)-4-methyl-2-[[2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]acetyl]amino]pentanoate CAS Name: (2S)-4-methyl-2-[[2-[4-(2-methyl-1-oxopropyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2S)-4-methyl-2-[[2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]acetyl]amino]pentanoate Traditional Name: (2S)-2-[[2-(4-isobutyrylpiperazin-1-ium-1-yl)acetyl]amino]-4-methyl-valeric acid methyl ester Formula: C17H32N3O4+ MolecularWeight: 342.45368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H31N3O4/c1-12(2)10-14(17(23)24-5)18-15(21)11-19-6-8-20(9-7-19)16(22)13(3)4/h12-14H,6-11H2,1-5H3,(H,18,21)/p+1/t14-/m0/s1