1-[2-[[1-(1,3-benzodioxol-5-yl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-3-methyl-butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[[1-(1,3-benzodioxol-5-yl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-3-methyl-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[[1-(1,3-benzodioxol-5-yl)-5-oxo-pyrrolidine-3-carbonyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[[1-(1,3-benzodioxol-5-yl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-3-methyl-1-oxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[[1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[1-(1,3-benzodioxol-5-yl)-5-keto-pyrrolidine-3-carbonyl]amino]-3-methyl-butanoyl]proline Formula: C22H27N3O7 MolecularWeight: 445.46568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCC1C(=O)O)NC(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)C(C(=O)N1CCCC1C(=O)O)NC(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H27N3O7/c1-12(2)19(21(28)24-7-3-4-15(24)22(29)30)23-20(27)13-8-18(26)25(10-13)14-5-6-16-17(9-14)32-11-31-16/h5-6,9,12-13,15,19H,3-4,7-8,10-11H2,1-2H3,(H,23,27)(H,29,30)