About N-(3-amino-2,2-dimethylpropyl)-4-(2,5-difluorophenyl)-3-methylbutanamide;(4R,5S)-4-[(4-bromophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-1,3-oxazolidine-5-carboxylic acid;tert-butyl (4R,5S)-4-[(4-bromophenyl)methyl]-5-[[8-(2,5-difluorophenyl)-2,2-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxooctyl]carbamoyl]-2-oxo-1,3-oxazolidine-3-carboxylate;tert-butyl N-[(2R,3S)-4-[[8-(2,5-difluorophenyl)-2,2-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxooctyl]amino]-3-hydroxy-1-(4-hydroxyphenyl)-4-oxobutan-2-yl]carbamate;tert-butyl (4R,5S)-5-[[8-(2,5-difluorophenyl)-2,2-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxooctyl]carbamoyl]-4-[(4-hydroxyphenyl)methyl]-2-oxo-1,3-oxazolidine-3-carboxylate
N-(3-amino-2,2-dimethylpropyl)-4-(2,5-difluorophenyl)-3-methylbutanamide;(4R,5S)-4-[(4-bromophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-1,3-oxazolidine-5-carboxylic acid;tert-butyl (4R,5S)-4-[(4-bromophenyl)methyl]-5-[[8-(2,5-difluorophenyl)-2,2-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxooctyl]carbamoyl]-2-oxo-1,3-oxazolidine-3-carboxylate;tert-butyl N-[(2R,3S)-4-[[8-(2,5-difluorophenyl)-2,2-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxooctyl]amino]-3-hydroxy-1-(4-hydroxyphenyl)-4-oxobutan-2-yl]carbamate;tert-butyl (4R,5S)-5-[[8-(2,5-difluorophenyl)-2,2-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxooctyl]carbamoyl]-4-[(4-hydroxyphenyl)methyl]-2-oxo-1,3-oxazolidine-3-carboxylate (PubChem CID 161211934) has the molecular formula C142H190Br2F8N12O32
and a molecular weight of 2888.93 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-4-(2,5-difluorophenyl)-3-methylbutanamide;(4R,5S)-4-[(4-bromophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-1,3-oxazolidine-5-carboxylic acid;tert-butyl (4R,5S)-4-[(4-bromophenyl)methyl]-5-[[8-(2,5-difluorophenyl)-2,2-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxooctyl]carbamoyl]-2-oxo-1,3-oxazolidine-3-carboxylate;tert-butyl N-[(2R,3S)-4-[[8-(2,5-difluorophenyl)-2,2-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxooctyl]amino]-3-hydroxy-1-(4-hydroxyphenyl)-4-oxobutan-2-yl]carbamate;tert-butyl (4R,5S)-5-[[8-(2,5-difluorophenyl)-2,2-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxooctyl]carbamoyl]-4-[(4-hydroxyphenyl)methyl]-2-oxo-1,3-oxazolidine-3-carboxylate.
Frequently Asked Questions
What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-4-(2,5-difluorophenyl)-3-methylbutanamide;(4R,5S)-4-[(4-bromophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-1,3-oxazolidine-5-carboxylic acid;tert-butyl (4R,5S)-4-[(4-bromophenyl)methyl]-5-[[8-(2,5-difluorophenyl)-2,2-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxooctyl]carbamoyl]-2-oxo-1,3-oxazolidine-3-carboxylate;tert-butyl N-[(2R,3S)-4-[[8-(2,5-difluorophenyl)-2,2-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxooctyl]amino]-3-hydroxy-1-(4-hydroxyphenyl)-4-oxobutan-2-yl]carbamate;tert-butyl (4R,5S)-5-[[8-(2,5-difluorophenyl)-2,2-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxooctyl]carbamoyl]-4-[(4-hydroxyphenyl)methyl]-2-oxo-1,3-oxazolidine-3-carboxylate?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-4-(2,5-difluorophenyl)-3-methylbutanamide;(4R,5S)-4-[(4-bromophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-1,3-oxazolidine-5-carboxylic acid;tert-butyl (4R,5S)-4-[(4-bromophenyl)methyl]-5-[[8-(2,5-difluorophenyl)-2,2-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxooctyl]carbamoyl]-2-oxo-1,3-oxazolidine-3-carboxylate;tert-butyl N-[(2R,3S)-4-[[8-(2,5-difluorophenyl)-2,2-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxooctyl]amino]-3-hydroxy-1-(4-hydroxyphenyl)-4-oxobutan-2-yl]carbamate;tert-butyl (4R,5S)-5-[[8-(2,5-difluorophenyl)-2,2-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxooctyl]carbamoyl]-4-[(4-hydroxyphenyl)methyl]-2-oxo-1,3-oxazolidine-3-carboxylate (CID 161211934) is N-(3-amino-2,2-dimethylpropyl)-4-(2,5-difluorophenyl)-3-methylbutanamide;(4R,5S)-4-[(4-bromophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-1,3-oxazolidine-5-carboxylic acid;tert-butyl (4R,5S)-4-[(4-bromophenyl)methyl]-5-[[8-(2,5-difluorophenyl)-2,2-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxooctyl]carbamoyl]-2-oxo-1,3-oxazolidine-3-carboxylate;tert-butyl N-[(2R,3S)-4-[[8-(2,5-difluorophenyl)-2,2-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxooctyl]amino]-3-hydroxy-1-(4-hydroxyphenyl)-4-oxobutan-2-yl]carbamate;tert-butyl (4R,5S)-5-[[8-(2,5-difluorophenyl)-2,2-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxooctyl]carbamoyl]-4-[(4-hydroxyphenyl)methyl]-2-oxo-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-4-(2,5-difluorophenyl)-3-methylbutanamide;(4R,5S)-4-[(4-bromophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-1,3-oxazolidine-5-carboxylic acid;tert-butyl (4R,5S)-4-[(4-bromophenyl)methyl]-5-[[8-(2,5-difluorophenyl)-2,2-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxooctyl]carbamoyl]-2-oxo-1,3-oxazolidine-3-carboxylate;tert-butyl N-[(2R,3S)-4-[[8-(2,5-difluorophenyl)-2,2-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxooctyl]amino]-3-hydroxy-1-(4-hydroxyphenyl)-4-oxobutan-2-yl]carbamate;tert-butyl (4R,5S)-5-[[8-(2,5-difluorophenyl)-2,2-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxooctyl]carbamoyl]-4-[(4-hydroxyphenyl)methyl]-2-oxo-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-4-(2,5-difluorophenyl)-3-methylbutanamide;(4R,5S)-4-[(4-bromophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-1,3-oxazolidine-5-carboxylic acid;tert-butyl (4R,5S)-4-[(4-bromophenyl)methyl]-5-[[8-(2,5-difluorophenyl)-2,2-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxooctyl]carbamoyl]-2-oxo-1,3-oxazolidine-3-carboxylate;tert-butyl N-[(2R,3S)-4-[[8-(2,5-difluorophenyl)-2,2-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxooctyl]amino]-3-hydroxy-1-(4-hydroxyphenyl)-4-oxobutan-2-yl]carbamate;tert-butyl (4R,5S)-5-[[8-(2,5-difluorophenyl)-2,2-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxooctyl]carbamoyl]-4-[(4-hydroxyphenyl)methyl]-2-oxo-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1C(=O)O[C@H](C(=O)O)[C@H]1Cc1ccc(Br)cc1.CC(C)(CCC(=O)CC(Cc1cc(F)ccc1F)NC(=O)OC(C)(C)C)CNC(=O)[C@@H](O)[C@@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C.CC(C)(CCC(=O)CC(Cc1cc(F)ccc1F)NC(=O)OC(C)(C)C)CNC(=O)[C@H]1OC(=O)N(C(=O)OC(C)(C)C)[C@@H]1Cc1ccc(Br)cc1.CC(C)(CCC(=O)CC(Cc1cc(F)ccc1F)NC(=O)OC(C)(C)C)CNC(=O)[C@H]1OC(=O)N(C(=O)OC(C)(C)C)[C@@H]1Cc1ccc(O)cc1.CC(CC(=O)NCC(C)(C)CN)Cc1cc(F)ccc1F.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-4-(2,5-difluorophenyl)-3-methylbutanamide;(4R,5S)-4-[(4-bromophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-1,3-oxazolidine-5-carboxylic acid;tert-butyl (4R,5S)-4-[(4-bromophenyl)methyl]-5-[[8-(2,5-difluorophenyl)-2,2-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxooctyl]carbamoyl]-2-oxo-1,3-oxazolidine-3-carboxylate;tert-butyl N-[(2R,3S)-4-[[8-(2,5-difluorophenyl)-2,2-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxooctyl]amino]-3-hydroxy-1-(4-hydroxyphenyl)-4-oxobutan-2-yl]carbamate;tert-butyl (4R,5S)-5-[[8-(2,5-difluorophenyl)-2,2-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxooctyl]carbamoyl]-4-[(4-hydroxyphenyl)methyl]-2-oxo-1,3-oxazolidine-3-carboxylate?
The InChIKey is UWITVKBVXBXIPA-SAGMELNBSA-N. The full InChI is InChI=1S/C37H48BrF2N3O8.C37H49F2N3O9.C36H51F2N3O8.C16H18BrNO6.C16H24F2N2O/c1-35(2,3)50-32(46)42-26(19-23-18-25(39)13-14-28(23)40)20-27(44)15-16-37(7,8)21-41-31(45)30-29(17-22-9-11-24(38)12-10-22)43(33(47)49-30)34(48)51-36(4,5)6;1-35(2,3)50-32(46)41-25(19-23-18-24(38)11-14-28(23)39)20-27(44)15-16-37(7,8)21-40-31(45)30-29(17-22-9-12-26(43)13-10-22)42(33(47)49-30)34(48)51-36(4,5)6;1-34(2,3)48-32(46)40-25(19-23-18-24(37)11-14-28(23)38)20-27(43)15-16-36(7,8)21-39-31(45)30(44)29(41-33(47)49-35(4,5)6)17-22-9-12-26(42)13-10-22;1-16(2,3)24-15(22)18-11(12(13(19)20)23-14(18)21)8-9-4-6-10(17)7-5-9;1-11(6-12-8-13(17)4-5-14(12)18)7-15(21)20-10-16(2,3)9-19/h9-14,18,26,29-30H,15-17,19-21H2,1-8H3,(H,41,45)(H,42,46);9-14,18,25,29-30,43H,15-17,19-21H2,1-8H3,(H,40,45)(H,41,46);9-14,18,25,29-30,42,44H,15-17,19-21H2,1-8H3,(H,39,45)(H,40,46)(H,41,47);4-7,11-12H,8H2,1-3H3,(H,19,20);4-5,8,11H,6-7,9-10,19H2,1-3H3,(H,20,21)/t26?,29-,30+;2*25?,29-,30+;11-,12+;/m1111./s1.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-4-(2,5-difluorophenyl)-3-methylbutanamide;(4R,5S)-4-[(4-bromophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-1,3-oxazolidine-5-carboxylic acid;tert-butyl (4R,5S)-4-[(4-bromophenyl)methyl]-5-[[8-(2,5-difluorophenyl)-2,2-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxooctyl]carbamoyl]-2-oxo-1,3-oxazolidine-3-carboxylate;tert-butyl N-[(2R,3S)-4-[[8-(2,5-difluorophenyl)-2,2-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxooctyl]amino]-3-hydroxy-1-(4-hydroxyphenyl)-4-oxobutan-2-yl]carbamate;tert-butyl (4R,5S)-5-[[8-(2,5-difluorophenyl)-2,2-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxooctyl]carbamoyl]-4-[(4-hydroxyphenyl)methyl]-2-oxo-1,3-oxazolidine-3-carboxylate?
N-(3-amino-2,2-dimethylpropyl)-4-(2,5-difluorophenyl)-3-methylbutanamide;(4R,5S)-4-[(4-bromophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-1,3-oxazolidine-5-carboxylic acid;tert-butyl (4R,5S)-4-[(4-bromophenyl)methyl]-5-[[8-(2,5-difluorophenyl)-2,2-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxooctyl]carbamoyl]-2-oxo-1,3-oxazolidine-3-carboxylate;tert-butyl N-[(2R,3S)-4-[[8-(2,5-difluorophenyl)-2,2-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxooctyl]amino]-3-hydroxy-1-(4-hydroxyphenyl)-4-oxobutan-2-yl]carbamate;tert-butyl (4R,5S)-5-[[8-(2,5-difluorophenyl)-2,2-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxooctyl]carbamoyl]-4-[(4-hydroxyphenyl)methyl]-2-oxo-1,3-oxazolidine-3-carboxylate has a molecular weight of 2888.93 g/mol, XLogP of 25.09, 51 rotatable bonds, 13 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-4-(2,5-difluorophenyl)-3-methylbutanamide;(4R,5S)-4-[(4-bromophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-1,3-oxazolidine-5-carboxylic acid;tert-butyl (4R,5S)-4-[(4-bromophenyl)methyl]-5-[[8-(2,5-difluorophenyl)-2,2-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxooctyl]carbamoyl]-2-oxo-1,3-oxazolidine-3-carboxylate;tert-butyl N-[(2R,3S)-4-[[8-(2,5-difluorophenyl)-2,2-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxooctyl]amino]-3-hydroxy-1-(4-hydroxyphenyl)-4-oxobutan-2-yl]carbamate;tert-butyl (4R,5S)-5-[[8-(2,5-difluorophenyl)-2,2-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxooctyl]carbamoyl]-4-[(4-hydroxyphenyl)methyl]-2-oxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 161211934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).