2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]methyl]propanedioic acid

Systemtic Name: 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]methyl]propanedioic acid Openeye Name: 2-[[2-(tert-butoxycarbonylamino)thiazol-5-yl]methyl]propanedioic acid CAS Name: 2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-thiazolyl]methyl]propanedioic acid IUPAC Name: 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]methyl]propanedioic acid Traditional Name: 2-[[2-(tert-butoxycarbonylamino)thiazol-5-yl]methyl]malonic acid Formula: C12H16N2O6S MolecularWeight: 316.33024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=NC=C(S1)CC(C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1=NC=C(S1)CC(C(=O)O)C(=O)O

InChI

InChI=1S/C12H16N2O6S/c1-12(2,3)20-11(19)14-10-13-5-6(21-10)4-7(8(15)16)9(17)18/h5,7H,4H2,1-3H3,(H,15,16)(H,17,18)(H,13,14,19)