(2S,3S)-2-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]carbonylamino]-3-methyl-pentanoate

Systemtic Name: (2S,3S)-2-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]carbonylamino]-3-methyl-pentanoate Openeye Name: (2S,3S)-2-[[(2S)-2,3-dihydrobenzofuran-2-carbonyl]amino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[[(2S)-2,3-dihydrobenzofuran-2-yl]-oxomethyl]amino]-3-methylpentanoate IUPAC Name: (2S,3S)-2-[[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[[(2S)-coumaran-2-carbonyl]amino]-3-methyl-valerate Formula: C15H18NO4- MolecularWeight: 276.30772

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)C1CC2=CC=CC=C2O1

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO4/c1-3-9(2)13(15(18)19)16-14(17)12-8-10-6-4-5-7-11(10)20-12/h4-7,9,12-13H,3,8H2,1-2H3,(H,16,17)(H,18,19)/p-1/t9-,12-,13-/m0/s1