(2R)-2-[[(2S)-2-(4-ethanoylpiperazin-1-ium-1-yl)-3-methyl-butanoyl]amino]propanoate

Systemtic Name: (2R)-2-[[(2S)-2-(4-ethanoylpiperazin-1-ium-1-yl)-3-methyl-butanoyl]amino]propanoate Openeye Name: (2R)-2-[[(2S)-2-(4-acetylpiperazin-1-ium-1-yl)-3-methyl-butanoyl]amino]propanoate CAS Name: (2R)-2-[[(2S)-2-(4-acetyl-1-piperazin-1-iumyl)-3-methyl-1-oxobutyl]amino]propanoate IUPAC Name: (2R)-2-[[(2S)-2-(4-acetylpiperazin-1-ium-1-yl)-3-methylbutanoyl]amino]propanoate Traditional Name: (2R)-2-[[(2S)-2-(4-acetylpiperazin-1-ium-1-yl)-3-methyl-butanoyl]amino]propionate Formula: C14H25N3O4 MolecularWeight: 299.366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H25N3O4/c1-9(2)12(13(19)15-10(3)14(20)21)17-7-5-16(6-8-17)11(4)18/h9-10,12H,5-8H2,1-4H3,(H,15,19)(H,20,21)/t10-,12+/m1/s1