3-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)sulfanylmethoxycarbonylamino]butanoic acid

Systemtic Name: 3-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)sulfanylmethoxycarbonylamino]butanoic acid Openeye Name: 2-[(2-isopropylthiazol-4-yl)sulfanylmethoxycarbonylamino]-3-methyl-butanoic acid CAS Name: 3-methyl-2-[[oxo-[[(2-propan-2-yl-4-thiazolyl)thio]methoxy]methyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)sulfanylmethoxycarbonylamino]butanoic acid Traditional Name: 2-[[(2-isopropylthiazol-4-yl)thio]methoxycarbonylamino]-3-methyl-butyric acid Formula: C13H20N2O4S2 MolecularWeight: 332.4389

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=CS1)SCOC(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

CC(C)C1=NC(=CS1)SCOC(=O)NC(C(C)C)C(=O)O

InChI

InChI=1S/C13H20N2O4S2/c1-7(2)10(12(16)17)15-13(18)19-6-21-9-5-20-11(14-9)8(3)4/h5,7-8,10H,6H2,1-4H3,(H,15,18)(H,16,17)