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

Systemtic Name: 3-methyl-2-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]butanoic acid Openeye Name: 2-[[2-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-methyl-butanoic acid CAS Name: 3-methyl-2-[[1-oxo-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]ethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]butanoic acid Traditional Name: 2-[[2-[(4-isopropyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-3-methyl-butyric acid Formula: C12H20N4O3S MolecularWeight: 300.3772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)CSC1=NN=CN1C(C)C

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)CSC1=NN=CN1C(C)C

InChI

InChI=1S/C12H20N4O3S/c1-7(2)10(11(18)19)14-9(17)5-20-12-15-13-6-16(12)8(3)4/h6-8,10H,5H2,1-4H3,(H,14,17)(H,18,19)