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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C(=O)NC(CC(=O)N)C(=O)[O-]

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2O1)C(=O)N[C@@H](CC(=O)N)C(=O)[O-]

InChI

InChI=1S/C13H14N2O6/c14-11(16)5-7(13(18)19)15-12(17)10-6-20-8-3-1-2-4-9(8)21-10/h1-4,7,10H,5-6H2,(H2,14,16)(H,15,17)(H,18,19)/p-1/t7-,10+/m0/s1