(3R)-3-(1,3-benzodioxol-5-yl)-3-(propanoylamino)propanoic acid

Systemtic Name: (3R)-3-(1,3-benzodioxol-5-yl)-3-(propanoylamino)propanoic acid Openeye Name: (3R)-3-(1,3-benzodioxol-5-yl)-3-(propanoylamino)propanoic acid CAS Name: (3R)-3-(1,3-benzodioxol-5-yl)-3-(1-oxopropylamino)propanoic acid IUPAC Name: (3R)-3-(1,3-benzodioxol-5-yl)-3-(propanoylamino)propanoic acid Traditional Name: (3R)-3-(1,3-benzodioxol-5-yl)-3-propionamido-propionic acid Formula: C13H15NO5 MolecularWeight: 265.2619

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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)/t9-/m1/s1