(2S)-2-(1-benzofuran-2-ylcarbonylamino)-3-methyl-butanoic acid

Systemtic Name: (2S)-2-(1-benzofuran-2-ylcarbonylamino)-3-methyl-butanoic acid Openeye Name: (2S)-2-(benzofuran-2-carbonylamino)-3-methyl-butanoic acid CAS Name: (2S)-2-[[2-benzofuranyl(oxo)methyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-(1-benzofuran-2-carbonylamino)-3-methylbutanoic acid Traditional Name: (2S)-2-(benzofuran-2-carbonylamino)-3-methyl-butyric acid Formula: C14H15NO4 MolecularWeight: 261.2732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1=CC2=CC=CC=C2O1

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)C1=CC2=CC=CC=C2O1

InChI

InChI=1S/C14H15NO4/c1-8(2)12(14(17)18)15-13(16)11-7-9-5-3-4-6-10(9)19-11/h3-8,12H,1-2H3,(H,15,16)(H,17,18)/t12-/m0/s1