3-oxidanyl-2-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]propanoic acid

Systemtic Name: 3-oxidanyl-2-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]propanoic acid Openeye Name: 3-hydroxy-2-[[2-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]propanoic acid CAS Name: 3-hydroxy-2-[[1-oxo-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]ethyl]amino]propanoic acid IUPAC Name: 3-hydroxy-2-[[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]propanoic acid Traditional Name: 3-hydroxy-2-[[2-[(4-isopropyl-1,2,4-triazol-3-yl)thio]acetyl]amino]propionic acid Formula: C10H16N4O4S MolecularWeight: 288.32344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN=C1SCC(=O)NC(CO)C(=O)O

Isomeric SMILES

CC(C)N1C=NN=C1SCC(=O)NC(CO)C(=O)O

InChI

InChI=1S/C10H16N4O4S/c1-6(2)14-5-11-13-10(14)19-4-8(16)12-7(3-15)9(17)18/h5-7,15H,3-4H2,1-2H3,(H,12,16)(H,17,18)