(2S)-4-azanyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)-4-oxidanylidene-butanoate

Systemtic Name: (2S)-4-azanyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)-4-oxidanylidene-butanoate Openeye Name: (2S)-4-amino-2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-4-oxo-butanoate CAS Name: (2S)-4-amino-2-[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]amino]-4-oxobutanoate IUPAC Name: (2S)-4-amino-2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-4-oxobutanoate Traditional Name: (2S)-4-amino-2-(2,3-dihydro-1,4-benzodioxin-6-carbonylamino)-4-keto-butyrate Formula: C13H13N2O6- MolecularWeight: 293.25212

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)NC(CC(=O)N)C(=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)N[C@@H](CC(=O)N)C(=O)[O-]

InChI

InChI=1S/C13H14N2O6/c14-11(16)6-8(13(18)19)15-12(17)7-1-2-9-10(5-7)21-4-3-20-9/h1-2,5,8H,3-4,6H2,(H2,14,16)(H,15,17)(H,18,19)/p-1/t8-/m0/s1