[(1R)-3-methyl-1-[2-(pyrazin-2-ylcarbothioylamino)ethanethioylamino]butyl]boronic acid

Systemtic Name: [(1R)-3-methyl-1-[2-(pyrazin-2-ylcarbothioylamino)ethanethioylamino]butyl]boronic acid Openeye Name: [(1R)-3-methyl-1-[[2-(pyrazine-2-carbothioylamino)ethanethioyl]amino]butyl]boronic acid CAS Name: [(1R)-3-methyl-1-[[2-[[2-pyrazinyl(sulfanylidene)methyl]amino]-1-sulfanylideneethyl]amino]butyl]boronic acid IUPAC Name: [(1R)-3-methyl-1-[[2-(pyrazine-2-carbothioylamino)ethanethioyl]amino]butyl]boronic acid Traditional Name: [(1R)-3-methyl-1-[[2-(pyrazine-2-carbothioylamino)thioacetyl]amino]butyl]boronic acid Formula: C12H19BN4O2S2 MolecularWeight: 326.24586

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Descriptors Computed from Structure

Canonical SMILES:

B(C(CC(C)C)NC(=S)CNC(=S)C1=NC=CN=C1)(O)O

Isomeric SMILES

B([C@H](CC(C)C)NC(=S)CNC(=S)C1=NC=CN=C1)(O)O

InChI

InChI=1S/C12H19BN4O2S2/c1-8(2)5-10(13(18)19)17-11(20)7-16-12(21)9-6-14-3-4-15-9/h3-4,6,8,10,18-19H,5,7H2,1-2H3,(H,16,21)(H,17,20)/t10-/m0/s1