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

Systemtic Name: 3-[2-[[1-(1,3-benzodioxol-5-yl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]propanoylamino]propanoic acid Openeye Name: 3-[2-[[1-(1,3-benzodioxol-5-yl)-5-oxo-pyrrolidine-3-carbonyl]amino]propanoylamino]propanoic acid CAS Name: 3-[[2-[[[1-(1,3-benzodioxol-5-yl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-[2-[[1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]propanoylamino]propanoic acid Traditional Name: 3-[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)NCCC(=O)O)NC(=O)C1CC(=O)N(C1)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O7/c1-10(17(25)19-5-4-16(23)24)20-18(26)11-6-15(22)21(8-11)12-2-3-13-14(7-12)28-9-27-13/h2-3,7,10-11H,4-6,8-9H2,1H3,(H,19,25)(H,20,26)(H,23,24)