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

Systemtic Name: 2-[2-[[1-(1,3-benzodioxol-5-yl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]propanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[2-[[1-(1,3-benzodioxol-5-yl)-5-oxo-pyrrolidine-3-carbonyl]amino]propanoylamino]-3-methyl-butanoic acid CAS Name: 2-[[2-[[[1-(1,3-benzodioxol-5-yl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-1-oxopropyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[2-[[1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]propanoylamino]-3-methylbutanoic acid Traditional Name: 2-[2-[[1-(1,3-benzodioxol-5-yl)-5-keto-pyrrolidine-3-carbonyl]amino]propanoylamino]-3-methyl-butyric acid Formula: C20H25N3O7 MolecularWeight: 419.4284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O7/c1-10(2)17(20(27)28)22-18(25)11(3)21-19(26)12-6-16(24)23(8-12)13-4-5-14-15(7-13)30-9-29-14/h4-5,7,10-12,17H,6,8-9H2,1-3H3,(H,21,26)(H,22,25)(H,27,28)