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

Systemtic Name: (2S)-2-[2-(4-ethanoylpiperazin-1-ium-1-yl)ethanoylamino]-4-methyl-pentanoate Openeye Name: (2S)-2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[2-(4-acetyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-4-methylpentanoate IUPAC Name: (2S)-2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-4-methyl-valerate Formula: C14H25N3O4 MolecularWeight: 299.366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H25N3O4/c1-10(2)8-12(14(20)21)15-13(19)9-16-4-6-17(7-5-16)11(3)18/h10,12H,4-9H2,1-3H3,(H,15,19)(H,20,21)/t12-/m0/s1