3-[[1-[2-(1,3-benzodioxol-5-ylcarbonylamino)-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[1-[2-(1,3-benzodioxol-5-ylcarbonylamino)-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[1-[2-(1,3-benzodioxole-5-carbonylamino)-3-methyl-butanoyl]pyrrolidine-2-carbonyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[[1-[2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[1-[2-(1,3-benzodioxole-5-carbonylamino)-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid Traditional Name: 4-keto-3-[[1-[3-methyl-2-(piperonyloylamino)butanoyl]prolyl]amino]butyric acid Formula: C22H27N3O8 MolecularWeight: 461.46508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCC1C(=O)NC(CC(=O)O)C=O)NC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)C(C(=O)N1CCCC1C(=O)NC(CC(=O)O)C=O)NC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C22H27N3O8/c1-12(2)19(24-20(29)13-5-6-16-17(8-13)33-11-32-16)22(31)25-7-3-4-15(25)21(30)23-14(10-26)9-18(27)28/h5-6,8,10,12,14-15,19H,3-4,7,9,11H2,1-2H3,(H,23,30)(H,24,29)(H,27,28)