3-[[(2S)-3-ethanoyl-2-pyridin-3-yl-2H-1,3,4-thiadiazol-5-yl]amino]propanoic acid

Systemtic Name: 3-[[(2S)-3-ethanoyl-2-pyridin-3-yl-2H-1,3,4-thiadiazol-5-yl]amino]propanoic acid Openeye Name: 3-[[(2S)-3-acetyl-2-(3-pyridyl)-2H-1,3,4-thiadiazol-5-yl]amino]propanoic acid CAS Name: 3-[[(2S)-3-acetyl-2-(3-pyridinyl)-2H-1,3,4-thiadiazol-5-yl]amino]propanoic acid IUPAC Name: 3-[[(2S)-3-acetyl-2-pyridin-3-yl-2H-1,3,4-thiadiazol-5-yl]amino]propanoic acid Traditional Name: 3-[[(2S)-3-acetyl-2-(3-pyridyl)-2H-1,3,4-thiadiazol-5-yl]amino]propionic acid Formula: C12H14N4O3S MolecularWeight: 294.32956

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(SC(=N1)NCCC(=O)O)C2=CN=CC=C2

Isomeric SMILES

CC(=O)N1[C@@H](SC(=N1)NCCC(=O)O)C2=CN=CC=C2

InChI

InChI=1S/C12H14N4O3S/c1-8(17)16-11(9-3-2-5-13-7-9)20-12(15-16)14-6-4-10(18)19/h2-3,5,7,11H,4,6H2,1H3,(H,14,15)(H,18,19)/t11-/m0/s1