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

Systemtic Name: 2-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-3-methyl-butyric acid Formula: C12H18N4O3S MolecularWeight: 298.36132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)CSC1=NN=CN1C2CC2

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)CSC1=NN=CN1C2CC2

InChI

InChI=1S/C12H18N4O3S/c1-7(2)10(11(18)19)14-9(17)5-20-12-15-13-6-16(12)8-3-4-8/h6-8,10H,3-5H2,1-2H3,(H,14,17)(H,18,19)