(2S)-2-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]carbonylamino]propanoic acid

Systemtic Name: (2S)-2-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]carbonylamino]propanoic acid Openeye Name: (2S)-2-[[(2R)-2,3-dihydrobenzofuran-2-carbonyl]amino]propanoic acid CAS Name: (2S)-2-[[[(2R)-2,3-dihydrobenzofuran-2-yl]-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-2-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]propanoic acid Traditional Name: (2S)-2-[[(2R)-coumaran-2-carbonyl]amino]propionic acid Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C1CC2=CC=CC=C2O1

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)[C@H]1CC2=CC=CC=C2O1

InChI

InChI=1S/C12H13NO4/c1-7(12(15)16)13-11(14)10-6-8-4-2-3-5-9(8)17-10/h2-5,7,10H,6H2,1H3,(H,13,14)(H,15,16)/t7-,10+/m0/s1