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

Systemtic Name: 4-methylsulfanyl-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]-4-methylsulfanyl-butanoic acid CAS Name: 4-(methylthio)-2-[[1-oxo-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]ethyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-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]-4-(methylthio)butyric acid Formula: C12H20N4O3S2 MolecularWeight: 332.4422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20N4O3S2/c1-8(2)16-7-13-15-12(16)21-6-10(17)14-9(11(18)19)4-5-20-3/h7-9H,4-6H2,1-3H3,(H,14,17)(H,18,19)