(2S,3S)-2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonylamino]-3-oxidanyl-butanoate

Systemtic Name: (2S,3S)-2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonylamino]-3-oxidanyl-butanoate Openeye Name: (2S,3S)-2-[[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]-3-hydroxy-butanoate CAS Name: (2S,3S)-2-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]amino]-3-hydroxybutanoate IUPAC Name: (2S,3S)-2-[[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]-3-hydroxybutanoate Traditional Name: (2S,3S)-2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]amino]-3-hydroxy-butyrate Formula: C13H14NO6- MolecularWeight: 280.25336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)[O-])NC(=O)C1COC2=CC=CC=C2O1)O

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO6/c1-7(15)11(13(17)18)14-12(16)10-6-19-8-4-2-3-5-9(8)20-10/h2-5,7,10-11,15H,6H2,1H3,(H,14,16)(H,17,18)/p-1/t7-,10-,11-/m0/s1