About 2-[(2R)-2-benzyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,6-dioxopiperazin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[(2R)-2-benzyl-6-oxopiperazin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;2-[(4R)-2,5-dioxo-4-(pyridin-3-ylmethyl)imidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;propan-2-yl N-[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate
2-[(2R)-2-benzyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,6-dioxopiperazin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[(2R)-2-benzyl-6-oxopiperazin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;2-[(4R)-2,5-dioxo-4-(pyridin-3-ylmethyl)imidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;propan-2-yl N-[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate (PubChem CID 161381489) has the molecular formula C146H162F6N26O27
and a molecular weight of 2827.04 g/mol. Its IUPAC name is 2-[(2R)-2-benzyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,6-dioxopiperazin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[(2R)-2-benzyl-6-oxopiperazin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;2-[(4R)-2,5-dioxo-4-(pyridin-3-ylmethyl)imidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;propan-2-yl N-[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate.
Frequently Asked Questions
What is the IUPAC name of 2-[(2R)-2-benzyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,6-dioxopiperazin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[(2R)-2-benzyl-6-oxopiperazin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;2-[(4R)-2,5-dioxo-4-(pyridin-3-ylmethyl)imidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;propan-2-yl N-[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate?
The IUPAC name of 2-[(2R)-2-benzyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,6-dioxopiperazin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[(2R)-2-benzyl-6-oxopiperazin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;2-[(4R)-2,5-dioxo-4-(pyridin-3-ylmethyl)imidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;propan-2-yl N-[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate (CID 161381489) is 2-[(2R)-2-benzyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,6-dioxopiperazin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[(2R)-2-benzyl-6-oxopiperazin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;2-[(4R)-2,5-dioxo-4-(pyridin-3-ylmethyl)imidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;propan-2-yl N-[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for 2-[(2R)-2-benzyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,6-dioxopiperazin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[(2R)-2-benzyl-6-oxopiperazin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;2-[(4R)-2,5-dioxo-4-(pyridin-3-ylmethyl)imidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;propan-2-yl N-[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate?
The canonical SMILES for 2-[(2R)-2-benzyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,6-dioxopiperazin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[(2R)-2-benzyl-6-oxopiperazin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;2-[(4R)-2,5-dioxo-4-(pyridin-3-ylmethyl)imidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;propan-2-yl N-[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate is CC(C)[C@H](NC(=O)CN1C(=O)NC(c2ccccc2)C1=O)C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1.CC(C)[C@H](NC(=O)CN1C(=O)N[C@H](Cc2cccnc2)C1=O)C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)CN(Cc4ccc5c(c4)OCCO5)C(=O)[C@H]3Cc3ccccc3)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)CNC[C@H]3Cc3ccccc3)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)OC(C)C)C(C)C)C(C)C)o2)c1.
What is the InChIKey of 2-[(2R)-2-benzyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,6-dioxopiperazin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[(2R)-2-benzyl-6-oxopiperazin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;2-[(4R)-2,5-dioxo-4-(pyridin-3-ylmethyl)imidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;propan-2-yl N-[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate?
The InChIKey is VRTXZNZNBDYETK-HIQYAUPKSA-N. The full InChI is InChI=1S/C37H39N5O7.C29H41N5O6.C28H33N5O4.C26H25F3N6O5.C26H24F3N5O5/c1-23(2)34(35(45)36-40-39-32(49-36)19-26-11-7-8-24(3)16-26)38-31(43)21-42-28(17-25-9-5-4-6-10-25)37(46)41(22-33(42)44)20-27-12-13-29-30(18-27)48-15-14-47-29;1-16(2)23(25(35)27-33-32-22(40-27)15-20-11-8-10-19(7)14-20)30-26(36)21-12-9-13-34(21)28(37)24(17(3)4)31-29(38)39-18(5)6;1-18(2)26(27(36)28-32-31-24(37-28)14-21-11-7-8-19(3)12-21)30-23(34)17-33-22(15-29-16-25(33)35)13-20-9-5-4-6-10-20;1-14(2)21(22(37)23-33-20(40-34-23)11-15-5-3-7-17(9-15)26(27,28)29)32-19(36)13-35-24(38)18(31-25(35)39)10-16-6-4-8-30-12-16;1-14(2)20(30-18(35)13-34-24(37)21(32-25(34)38)16-8-4-3-5-9-16)22(36)23-31-19(39-33-23)12-15-7-6-10-17(11-15)26(27,28)29/h4-13,16,18,23,28,34H,14-15,17,19-22H2,1-3H3,(H,38,43);8,10-11,14,16-18,21,23-24H,9,12-13,15H2,1-7H3,(H,30,36)(H,31,38);4-12,18,22,26,29H,13-17H2,1-3H3,(H,30,34);3-9,12,14,18,21H,10-11,13H2,1-2H3,(H,31,39)(H,32,36);3-11,14,20-21H,12-13H2,1-2H3,(H,30,35)(H,32,38)/t28-,34+;21-,23-,24-;22-,26+;18-,21+;20-,21?/m10110/s1.
What are the key properties of 2-[(2R)-2-benzyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,6-dioxopiperazin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[(2R)-2-benzyl-6-oxopiperazin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;2-[(4R)-2,5-dioxo-4-(pyridin-3-ylmethyl)imidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;propan-2-yl N-[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate?
2-[(2R)-2-benzyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,6-dioxopiperazin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[(2R)-2-benzyl-6-oxopiperazin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;2-[(4R)-2,5-dioxo-4-(pyridin-3-ylmethyl)imidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;propan-2-yl N-[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate has a molecular weight of 2827.04 g/mol, XLogP of 15.18, 52 rotatable bonds, 9 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-benzyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,6-dioxopiperazin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[(2R)-2-benzyl-6-oxopiperazin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;2-[(4R)-2,5-dioxo-4-(pyridin-3-ylmethyl)imidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;propan-2-yl N-[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 161381489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).