2-[2-[[1-(1,3-benzodioxol-5-yl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]propanoylamino]propanoic acid

Systemtic Name: 2-[2-[[1-(1,3-benzodioxol-5-yl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]propanoylamino]propanoic acid Openeye Name: 2-[2-[[1-(1,3-benzodioxol-5-yl)-5-oxo-pyrrolidine-3-carbonyl]amino]propanoylamino]propanoic acid CAS Name: 2-[[2-[[[1-(1,3-benzodioxol-5-yl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-1-oxopropyl]amino]propanoic acid IUPAC Name: 2-[2-[[1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]propanoylamino]propanoic acid Traditional Name: 2-[2-[[1-(1,3-benzodioxol-5-yl)-5-keto-pyrrolidine-3-carbonyl]amino]propanoylamino]propionic acid Formula: C18H21N3O7 MolecularWeight: 391.37524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)C(=O)O)NC(=O)C1CC(=O)N(C1)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C(=O)NC(C)C(=O)O)NC(=O)C1CC(=O)N(C1)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H21N3O7/c1-9(16(23)20-10(2)18(25)26)19-17(24)11-5-15(22)21(7-11)12-3-4-13-14(6-12)28-8-27-13/h3-4,6,9-11H,5,7-8H2,1-2H3,(H,19,24)(H,20,23)(H,25,26)