(2S)-4-azanyl-2-(1,3-benzodioxol-5-ylcarbonylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-4-azanyl-2-(1,3-benzodioxol-5-ylcarbonylamino)-4-oxidanylidene-butanoic acid Openeye Name: (2S)-4-amino-2-(1,3-benzodioxole-5-carbonylamino)-4-oxo-butanoic acid CAS Name: (2S)-4-amino-2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-4-oxobutanoic acid IUPAC Name: (2S)-4-amino-2-(1,3-benzodioxole-5-carbonylamino)-4-oxobutanoic acid Traditional Name: (2S)-4-amino-4-keto-2-(piperonyloylamino)butyric acid Formula: C12H12N2O6 MolecularWeight: 280.23348

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC(CC(=O)N)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)N[C@@H](CC(=O)N)C(=O)O

InChI

InChI=1S/C12H12N2O6/c13-10(15)4-7(12(17)18)14-11(16)6-1-2-8-9(3-6)20-5-19-8/h1-3,7H,4-5H2,(H2,13,15)(H,14,16)(H,17,18)/t7-/m0/s1