(2S)-2-[[(2S)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanoyl]amino]propanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanoyl]amino]propanoic acid Openeye Name: (2S)-2-[[(2S)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanoyl]amino]propanoic acid CAS Name: (2S)-2-[[(2S)-1-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]amino]propanoic acid IUPAC Name: (2S)-2-[[(2S)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanoyl]amino]propanoic acid Traditional Name: (2S)-2-[[(2S)-2-[4-(2-pyrimidyl)piperazino]propanoyl]amino]propionic acid Formula: C14H21N5O3 MolecularWeight: 307.34824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C(C)N1CCN(CC1)C2=NC=CC=N2

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)[C@H](C)N1CCN(CC1)C2=NC=CC=N2

InChI

InChI=1S/C14H21N5O3/c1-10(13(21)22)17-12(20)11(2)18-6-8-19(9-7-18)14-15-4-3-5-16-14/h3-5,10-11H,6-9H2,1-2H3,(H,17,20)(H,21,22)/t10-,11-/m0/s1