(3R)-3-(1,3-benzodioxol-5-yl)-3-(propanoylamino)propanoate

Systemtic Name: (3R)-3-(1,3-benzodioxol-5-yl)-3-(propanoylamino)propanoate Openeye Name: (3R)-3-(1,3-benzodioxol-5-yl)-3-(propanoylamino)propanoate CAS Name: (3R)-3-(1,3-benzodioxol-5-yl)-3-(1-oxopropylamino)propanoate IUPAC Name: (3R)-3-(1,3-benzodioxol-5-yl)-3-(propanoylamino)propanoate Traditional Name: (3R)-3-(1,3-benzodioxol-5-yl)-3-propionamido-propionate Formula: C13H14NO5- MolecularWeight: 264.25396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(=O)N[C@H](CC(=O)[O-])C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C13H15NO5/c1-2-12(15)14-9(6-13(16)17)8-3-4-10-11(5-8)19-7-18-10/h3-5,9H,2,6-7H2,1H3,(H,14,15)(H,16,17)/p-1/t9-/m1/s1