(2S,3S)-2-(1,3-benzodioxol-5-ylcarbonylamino)-3-oxidanyl-butanoate

Systemtic Name: (2S,3S)-2-(1,3-benzodioxol-5-ylcarbonylamino)-3-oxidanyl-butanoate Openeye Name: (2S,3S)-2-(1,3-benzodioxole-5-carbonylamino)-3-hydroxy-butanoate CAS Name: (2S,3S)-2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-3-hydroxybutanoate IUPAC Name: (2S,3S)-2-(1,3-benzodioxole-5-carbonylamino)-3-hydroxybutanoate Traditional Name: (2S,3S)-3-hydroxy-2-(piperonyloylamino)butyrate Formula: C12H12NO6- MolecularWeight: 266.22678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)[O-])NC(=O)C1=CC2=C(C=C1)OCO2)O

Isomeric SMILES

C[C@@H]([C@@H](C(=O)[O-])NC(=O)C1=CC2=C(C=C1)OCO2)O

InChI

InChI=1S/C12H13NO6/c1-6(14)10(12(16)17)13-11(15)7-2-3-8-9(4-7)19-5-18-8/h2-4,6,10,14H,5H2,1H3,(H,13,15)(H,16,17)/p-1/t6-,10-/m0/s1