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

Systemtic Name: (2S)-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]amino]-3-methyl-butyric acid Formula: C14H17NO5 MolecularWeight: 279.28848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1COC2=CC=CC=C2O1

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)[C@H]1COC2=CC=CC=C2O1

InChI

InChI=1S/C14H17NO5/c1-8(2)12(14(17)18)15-13(16)11-7-19-9-5-3-4-6-10(9)20-11/h3-6,8,11-12H,7H2,1-2H3,(H,15,16)(H,17,18)/t11-,12+/m1/s1