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

Systemtic Name: (2S)-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]amino]-4-methyl-valeric acid Formula: C15H19NO5 MolecularWeight: 293.31506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO5/c1-9(2)7-10(15(18)19)16-14(17)13-8-20-11-5-3-4-6-12(11)21-13/h3-6,9-10,13H,7-8H2,1-2H3,(H,16,17)(H,18,19)/t10-,13+/m0/s1