2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-3-oxidanyl-propanoic acid Openeye Name: 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-3-hydroxy-propanoic acid CAS Name: 2-[[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]amino]-3-hydroxypropanoic acid IUPAC Name: 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-3-hydroxypropanoic acid Traditional Name: 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-3-hydroxy-propionic acid Formula: C13H15NO6 MolecularWeight: 281.2613

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCC(=O)NC(CO)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCC(=O)NC(CO)C(=O)O

InChI

InChI=1S/C13H15NO6/c15-6-9(13(17)18)14-12(16)4-2-8-1-3-10-11(5-8)20-7-19-10/h1,3,5,9,15H,2,4,6-7H2,(H,14,16)(H,17,18)