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

Systemtic Name: 3-methyl-2-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]pentanoic acid Openeye Name: 2-[[2-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-methyl-pentanoic acid CAS Name: 3-methyl-2-[[1-oxo-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]ethyl]amino]pentanoic acid IUPAC Name: 3-methyl-2-[[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]pentanoic acid Traditional Name: 2-[[2-[(4-isopropyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-3-methyl-valeric acid Formula: C13H22N4O3S MolecularWeight: 314.40378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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