(2S)-2-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]carbonylamino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(2R)-2,3-dihydrobenzofuran-2-carbonyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[[(2R)-2,3-dihydrobenzofuran-2-yl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2R)-coumaran-2-carbonyl]amino]-4-methyl-valeric acid Formula: C15H19NO4 MolecularWeight: 277.31566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO4/c1-9(2)7-11(15(18)19)16-14(17)13-8-10-5-3-4-6-12(10)20-13/h3-6,9,11,13H,7-8H2,1-2H3,(H,16,17)(H,18,19)/t11-,13+/m0/s1