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

Systemtic Name: 2-[[2-[[1-(1,3-benzodioxol-5-yl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-3-methyl-butanoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[2-[[1-(1,3-benzodioxol-5-yl)-5-oxo-pyrrolidine-3-carbonyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[[[1-(1,3-benzodioxol-5-yl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-[[1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-[[1-(1,3-benzodioxol-5-yl)-5-keto-pyrrolidine-3-carbonyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butyric acid Formula: C22H29N3O7 MolecularWeight: 447.48156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O7/c1-11(2)18(21(28)24-19(12(3)4)22(29)30)23-20(27)13-7-17(26)25(9-13)14-5-6-15-16(8-14)32-10-31-15/h5-6,8,11-13,18-19H,7,9-10H2,1-4H3,(H,23,27)(H,24,28)(H,29,30)