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

Systemtic Name: 3,3-dimethyl-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]-3,3-dimethyl-butanoic acid CAS Name: 3,3-dimethyl-2-[[1-oxo-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]ethyl]amino]butanoic acid IUPAC Name: 3,3-dimethyl-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]-3,3-dimethyl-butyric acid Formula: C13H22N4O3S MolecularWeight: 314.40378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N4O3S/c1-8(2)17-7-14-16-12(17)21-6-9(18)15-10(11(19)20)13(3,4)5/h7-8,10H,6H2,1-5H3,(H,15,18)(H,19,20)