(2S)-2-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanoylamino]propanoate

Systemtic Name: (2S)-2-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanoylamino]propanoate Openeye Name: (2S)-2-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanoylamino]propanoate CAS Name: (2S)-2-[[1-oxo-3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propyl]amino]propanoate IUPAC Name: (2S)-2-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanoylamino]propanoate Traditional Name: (2S)-2-[3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propanoylamino]propionate Formula: C14H21N5O3 MolecularWeight: 307.34824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])NC(=O)CC[NH+]1CCN(CC1)C2=NC=CC=N2

Isomeric SMILES

C[C@@H](C(=O)[O-])NC(=O)CC[NH+]1CCN(CC1)C2=NC=CC=N2

InChI

InChI=1S/C14H21N5O3/c1-11(13(21)22)17-12(20)3-6-18-7-9-19(10-8-18)14-15-4-2-5-16-14/h2,4-5,11H,3,6-10H2,1H3,(H,17,20)(H,21,22)/t11-/m0/s1