About bis(3-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-N-(3,4-difluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide);3-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid;tert-butyl 3-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylate;methane;2-methyl-2-[[2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-2-oxoacetyl]amino]propanoic acid;2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-2-oxoacetic acid
bis(3-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-N-(3,4-difluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide);3-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid;tert-butyl 3-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylate;methane;2-methyl-2-[[2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-2-oxoacetyl]amino]propanoic acid;2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-2-oxoacetic acid (PubChem CID 160843926) has the molecular formula C114H151F4N17O29
and a molecular weight of 2299.54 g/mol. Its IUPAC name is bis(3-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-N-(3,4-difluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide);3-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid;tert-butyl 3-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylate;methane;2-methyl-2-[[2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-2-oxoacetyl]amino]propanoic acid;2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-2-oxoacetic acid.
Frequently Asked Questions
What is the IUPAC name of bis(3-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-N-(3,4-difluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide);3-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid;tert-butyl 3-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylate;methane;2-methyl-2-[[2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-2-oxoacetyl]amino]propanoic acid;2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-2-oxoacetic acid?
The IUPAC name of bis(3-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-N-(3,4-difluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide);3-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid;tert-butyl 3-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylate;methane;2-methyl-2-[[2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-2-oxoacetyl]amino]propanoic acid;2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-2-oxoacetic acid (CID 160843926) is bis(3-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-N-(3,4-difluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide);3-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid;tert-butyl 3-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylate;methane;2-methyl-2-[[2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-2-oxoacetyl]amino]propanoic acid;2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-2-oxoacetic acid.
What is the SMILES notation for bis(3-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-N-(3,4-difluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide);3-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid;tert-butyl 3-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylate;methane;2-methyl-2-[[2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-2-oxoacetyl]amino]propanoic acid;2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-2-oxoacetic acid?
The canonical SMILES for bis(3-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-N-(3,4-difluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide);3-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid;tert-butyl 3-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylate;methane;2-methyl-2-[[2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-2-oxoacetyl]amino]propanoic acid;2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-2-oxoacetic acid is C.C.C.C.Cc1c(C(=O)Nc2ccc(F)c(F)c2)c2n(c1C(=O)C(=O)NC(C)(C)C(N)=O)CCC2.Cc1c(C(=O)Nc2ccc(F)c(F)c2)c2n(c1C(=O)C(=O)NC(C)(C)C(N)=O)CCC2.Cc1c(C(=O)O)c2n(c1C(=O)C(=O)NC(C)(C)C(N)=O)CCC2.Cc1c(C(=O)OC(C)(C)C)c2n(c1C(=O)C(=O)NC(C)(C)C(=O)O)CCC2.Cc1c(C(=O)OC(C)(C)C)c2n(c1C(=O)C(=O)NC(C)(C)C(N)=O)CCC2.Cc1c(C(=O)OC(C)(C)C)c2n(c1C(=O)C(=O)O)CCC2.
What is the InChIKey of bis(3-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-N-(3,4-difluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide);3-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid;tert-butyl 3-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylate;methane;2-methyl-2-[[2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-2-oxoacetyl]amino]propanoic acid;2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-2-oxoacetic acid?
The InChIKey is SIJUKVKKFOULQT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H22F2N4O4.C19H27N3O5.C19H26N2O6.C15H19N3O5.C15H19NO5.4CH4/c2*1-10-15(18(29)25-11-6-7-12(22)13(23)9-11)14-5-4-8-27(14)16(10)17(28)19(30)26-21(2,3)20(24)31;1-10-12(16(25)27-18(2,3)4)11-8-7-9-22(11)13(10)14(23)15(24)21-19(5,6)17(20)26;1-10-12(16(24)27-18(2,3)4)11-8-7-9-21(11)13(10)14(22)15(23)20-19(5,6)17(25)26;1-7-9(13(21)22)8-5-4-6-18(8)10(7)11(19)12(20)17-15(2,3)14(16)23;1-8-10(14(20)21-15(2,3)4)9-6-5-7-16(9)11(8)12(17)13(18)19;;;;/h2*6-7,9H,4-5,8H2,1-3H3,(H2,24,31)(H,25,29)(H,26,30);7-9H2,1-6H3,(H2,20,26)(H,21,24);7-9H2,1-6H3,(H,20,23)(H,25,26);4-6H2,1-3H3,(H2,16,23)(H,17,20)(H,21,22);5-7H2,1-4H3,(H,18,19);4*1H4.
What are the key properties of bis(3-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-N-(3,4-difluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide);3-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid;tert-butyl 3-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylate;methane;2-methyl-2-[[2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-2-oxoacetyl]amino]propanoic acid;2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-2-oxoacetic acid?
bis(3-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-N-(3,4-difluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide);3-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid;tert-butyl 3-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylate;methane;2-methyl-2-[[2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-2-oxoacetyl]amino]propanoic acid;2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-2-oxoacetic acid has a molecular weight of 2299.54 g/mol, XLogP of 11.31, 30 rotatable bonds, 14 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-N-(3,4-difluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide);3-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid;tert-butyl 3-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylate;methane;2-methyl-2-[[2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-2-oxoacetyl]amino]propanoic acid;2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-2-oxoacetic acid is sourced from PubChem (CID 160843926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).