benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;2-(1-benzyl-3,5-dioxo-1,2,4-triazolidin-4-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;benzyl N-[(2S)-3-methyl-1-[(3S)-3-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxobutan-2-yl]carbamate;2-[(4S)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-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)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-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-propan-2-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(3-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(3-methyl-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

C273H307F9N48O54 — CID 157083227

IUPACbenzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;2-(1-benzyl-3,5-dioxo-1,2,4-triazolidin-4-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;benzyl N-[(2S)-3-methyl-1-[(3S)-3-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxobutan-2-yl]carbamate;2-[(4S)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-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)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-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-propan-2-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(3-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(3-methyl-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
SMILESCC(C)[C@H](NC(=O)CN1C(=O)C(c2ccccc2)N(C)C1=O)C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1.CC(C)[C@H](NC(=O)CN1C(=O)[C@@H](Cc2ccccc2)N(CCN2CCOCC2)C1=O)C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1.CC(C)[C@H](NC(=O)CN1C(=O)[C@H](Cc2ccccc2)N(CCN2CCOCC2)C1=O)C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1.CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)c1nnc(Cc2ccc3c(c2)OCO3)o1.CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)c1noc(Cc2ccc3c(c2)OCO3)n1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)C(c4ccccc4)N(C)C3=O)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)N[C@H](C(C)C)C3=O)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)Cn3c(=O)[nH]n(Cc4ccccc4)c3=O)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)[C@@H]3Cc4ccccc4CN3C(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)C)C(C)C)o2)c1
InChIInChI=1S/C38H43N5O6.2C33H37F3N6O6.2C33H39N5O8.C27H26F3N5O5.C27H29N5O5.C26H28N6O5.C23H29N5O5/c1-23(2)32(34(44)36-42-41-31(49-36)19-27-15-11-12-25(5)18-27)39-35(45)30-20-28-16-9-10-17-29(28)21-43(30)37(46)33(24(3)4)40-38(47)48-22-26-13-7-6-8-14-26;2*1-21(2)28(29(44)30-38-27(48-39-30)19-23-9-6-10-24(17-23)33(34,35)36)37-26(43)20-42-31(45)25(18-22-7-4-3-5-8-22)41(32(42)46)12-11-40-13-15-47-16-14-40;1-19(2)27(29(39)30-34-26(46-37-30)16-22-12-13-24-25(15-22)45-18-44-24)35-31(40)23-11-8-14-38(23)32(41)28(20(3)4)36-33(42)43-17-21-9-6-5-7-10-21;1-19(2)27(29(39)31-37-36-26(46-31)16-22-12-13-24-25(15-22)45-18-44-24)34-30(40)23-11-8-14-38(23)32(41)28(20(3)4)35-33(42)43-17-21-9-6-5-7-10-21;1-15(2)21(23(37)24-32-20(40-33-24)13-16-8-7-11-18(12-16)27(28,29)30)31-19(36)14-35-25(38)22(34(3)26(35)39)17-9-5-4-6-10-17;1-16(2)22(24(34)25-30-29-21(37-25)14-18-10-8-9-17(3)13-18)28-20(33)15-32-26(35)23(31(4)27(32)36)19-11-6-5-7-12-19;1-16(2)22(23(34)24-29-28-21(37-24)13-19-11-7-8-17(3)12-19)27-20(33)15-31-25(35)30-32(26(31)36)14-18-9-5-4-6-10-18;1-12(2)18(24-16(29)11-28-22(31)19(13(3)4)25-23(28)32)20(30)21-27-26-17(33-21)10-15-8-6-7-14(5)9-15/h6-18,23-24,30,32-33H,19-22H2,1-5H3,(H,39,45)(H,40,47);2*3-10,17,21,25,28H,11-16,18-20H2,1-2H3,(H,37,43);5-7,9-10,12-13,15,19-20,23,27-28H,8,11,14,16-18H2,1-4H3,(H,35,40)(H,36,42);5-7,9-10,12-13,15,19-20,23,27-28H,8,11,14,16-18H2,1-4H3,(H,34,40)(H,35,42);4-12,15,21-22H,13-14H2,1-3H3,(H,31,36);5-13,16,22-23H,14-15H2,1-4H3,(H,28,33);4-12,16,22H,13-15H2,1-3H3,(H,27,33)(H,30,35);6-9,12-13,18-19H,10-11H2,1-5H3,(H,24,29)(H,25,32)/t30-,32-,33-;25-,28+;25-,28-;2*23-,27-,28-;21-,22?;22-,23?;22-;18-,19+/m010000000/s1
InChIKeyADUHHGBWQIUZLN-NSVOWZBESA-N
MW5295.72 g/mol
LogP29.05
Rot. Bonds99

About benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;2-(1-benzyl-3,5-dioxo-1,2,4-triazolidin-4-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;benzyl N-[(2S)-3-methyl-1-[(3S)-3-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxobutan-2-yl]carbamate;2-[(4S)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-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)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-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-propan-2-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(3-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(3-methyl-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

benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;2-(1-benzyl-3,5-dioxo-1,2,4-triazolidin-4-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;benzyl N-[(2S)-3-methyl-1-[(3S)-3-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxobutan-2-yl]carbamate;2-[(4S)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-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)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-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-propan-2-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(3-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(3-methyl-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 (PubChem CID 157083227) has the molecular formula C273H307F9N48O54 and a molecular weight of 5295.72 g/mol. Its IUPAC name is benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;2-(1-benzyl-3,5-dioxo-1,2,4-triazolidin-4-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;benzyl N-[(2S)-3-methyl-1-[(3S)-3-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxobutan-2-yl]carbamate;2-[(4S)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-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)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-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-propan-2-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(3-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(3-methyl-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.

Molecular Properties

Compound Namebenzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;2-(1-benzyl-3,5-dioxo-1,2,4-triazolidin-4-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;benzyl N-[(2S)-3-methyl-1-[(3S)-3-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxobutan-2-yl]carbamate;2-[(4S)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-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)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-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-propan-2-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(3-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(3-methyl-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
PubChem CID157083227
Molecular FormulaC273H307F9N48O54
Molecular Weight5295.72 g/mol
Exact Mass5292.26
IUPAC Namebenzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;2-(1-benzyl-3,5-dioxo-1,2,4-triazolidin-4-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;benzyl N-[(2S)-3-methyl-1-[(3S)-3-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxobutan-2-yl]carbamate;2-[(4S)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-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)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-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-propan-2-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(3-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(3-methyl-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
SMILESCC(C)[C@H](NC(=O)CN1C(=O)C(c2ccccc2)N(C)C1=O)C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1.CC(C)[C@H](NC(=O)CN1C(=O)[C@@H](Cc2ccccc2)N(CCN2CCOCC2)C1=O)C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1.CC(C)[C@H](NC(=O)CN1C(=O)[C@H](Cc2ccccc2)N(CCN2CCOCC2)C1=O)C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1.CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)c1nnc(Cc2ccc3c(c2)OCO3)o1.CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)c1noc(Cc2ccc3c(c2)OCO3)n1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)C(c4ccccc4)N(C)C3=O)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)N[C@H](C(C)C)C3=O)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)Cn3c(=O)[nH]n(Cc4ccccc4)c3=O)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)[C@@H]3Cc4ccccc4CN3C(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)C)C(C)C)o2)c1
InChIInChI=1S/C38H43N5O6.2C33H37F3N6O6.2C33H39N5O8.C27H26F3N5O5.C27H29N5O5.C26H28N6O5.C23H29N5O5/c1-23(2)32(34(44)36-42-41-31(49-36)19-27-15-11-12-25(5)18-27)39-35(45)30-20-28-16-9-10-17-29(28)21-43(30)37(46)33(24(3)4)40-38(47)48-22-26-13-7-6-8-14-26;2*1-21(2)28(29(44)30-38-27(48-39-30)19-23-9-6-10-24(17-23)33(34,35)36)37-26(43)20-42-31(45)25(18-22-7-4-3-5-8-22)41(32(42)46)12-11-40-13-15-47-16-14-40;1-19(2)27(29(39)30-34-26(46-37-30)16-22-12-13-24-25(15-22)45-18-44-24)35-31(40)23-11-8-14-38(23)32(41)28(20(3)4)36-33(42)43-17-21-9-6-5-7-10-21;1-19(2)27(29(39)31-37-36-26(46-31)16-22-12-13-24-25(15-22)45-18-44-24)34-30(40)23-11-8-14-38(23)32(41)28(20(3)4)35-33(42)43-17-21-9-6-5-7-10-21;1-15(2)21(23(37)24-32-20(40-33-24)13-16-8-7-11-18(12-16)27(28,29)30)31-19(36)14-35-25(38)22(34(3)26(35)39)17-9-5-4-6-10-17;1-16(2)22(24(34)25-30-29-21(37-25)14-18-10-8-9-17(3)13-18)28-20(33)15-32-26(35)23(31(4)27(32)36)19-11-6-5-7-12-19;1-16(2)22(23(34)24-29-28-21(37-24)13-19-11-7-8-17(3)12-19)27-20(33)15-31-25(35)30-32(26(31)36)14-18-9-5-4-6-10-18;1-12(2)18(24-16(29)11-28-22(31)19(13(3)4)25-23(28)32)20(30)21-27-26-17(33-21)10-15-8-6-7-14(5)9-15/h6-18,23-24,30,32-33H,19-22H2,1-5H3,(H,39,45)(H,40,47);2*3-10,17,21,25,28H,11-16,18-20H2,1-2H3,(H,37,43);5-7,9-10,12-13,15,19-20,23,27-28H,8,11,14,16-18H2,1-4H3,(H,35,40)(H,36,42);5-7,9-10,12-13,15,19-20,23,27-28H,8,11,14,16-18H2,1-4H3,(H,34,40)(H,35,42);4-12,15,21-22H,13-14H2,1-3H3,(H,31,36);5-13,16,22-23H,14-15H2,1-4H3,(H,28,33);4-12,16,22H,13-15H2,1-3H3,(H,27,33)(H,30,35);6-9,12-13,18-19H,10-11H2,1-5H3,(H,24,29)(H,25,32)/t30-,32-,33-;25-,28+;25-,28-;2*23-,27-,28-;21-,22?;22-,23?;22-;18-,19+/m010000000/s1
InChIKeyADUHHGBWQIUZLN-NSVOWZBESA-N
XLogP29.05
TPSA1275.27 Ų
H-Bond Donors14
H-Bond Acceptors76
Rotatable Bonds99
Heavy Atoms384
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005295.72
LogP ≤ 529.05
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1076

Analyze benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;2-(1-benzyl-3,5-dioxo-1,2,4-triazolidin-4-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;benzyl N-[(2S)-3-methyl-1-[(3S)-3-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxobutan-2-yl]carbamate;2-[(4S)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-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)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-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-propan-2-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(3-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(3-methyl-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 with MolForge

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Related Compounds

benzyl N-[(2S)-3-methyl-1-[(3S)-3-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxobutan-2-yl]carbamate;2-[(4S)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-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)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-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-(3-methyl-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
CID 157149859
benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-3-methyl-1-[(3S)-3-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxobutan-2-yl]carbamate;2-[(4S)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;pyridin-4-ylmethyl N-[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate
CID 158219198
benzyl N-[(2S)-3-methyl-1-[(3S)-3-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxobutan-2-yl]carbamate;2-[(4S)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[(4S)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-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)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-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-(3-methyl-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
CID 158424337
benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;2-(1-benzyl-3,5-dioxo-1,2,4-triazolidin-4-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(3-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide
CID 159155501

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;2-(1-benzyl-3,5-dioxo-1,2,4-triazolidin-4-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;benzyl N-[(2S)-3-methyl-1-[(3S)-3-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxobutan-2-yl]carbamate;2-[(4S)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-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)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-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-propan-2-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(3-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(3-methyl-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?
The IUPAC name of benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;2-(1-benzyl-3,5-dioxo-1,2,4-triazolidin-4-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;benzyl N-[(2S)-3-methyl-1-[(3S)-3-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxobutan-2-yl]carbamate;2-[(4S)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-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)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-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-propan-2-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(3-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(3-methyl-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 (CID 157083227) is benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;2-(1-benzyl-3,5-dioxo-1,2,4-triazolidin-4-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;benzyl N-[(2S)-3-methyl-1-[(3S)-3-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxobutan-2-yl]carbamate;2-[(4S)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-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)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-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-propan-2-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(3-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(3-methyl-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.
What is the SMILES notation for benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;2-(1-benzyl-3,5-dioxo-1,2,4-triazolidin-4-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;benzyl N-[(2S)-3-methyl-1-[(3S)-3-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxobutan-2-yl]carbamate;2-[(4S)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-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)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-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-propan-2-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(3-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(3-methyl-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?
The canonical SMILES for benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;2-(1-benzyl-3,5-dioxo-1,2,4-triazolidin-4-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;benzyl N-[(2S)-3-methyl-1-[(3S)-3-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxobutan-2-yl]carbamate;2-[(4S)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-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)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-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-propan-2-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(3-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(3-methyl-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 is CC(C)[C@H](NC(=O)CN1C(=O)C(c2ccccc2)N(C)C1=O)C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1.CC(C)[C@H](NC(=O)CN1C(=O)[C@@H](Cc2ccccc2)N(CCN2CCOCC2)C1=O)C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1.CC(C)[C@H](NC(=O)CN1C(=O)[C@H](Cc2ccccc2)N(CCN2CCOCC2)C1=O)C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1.CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)c1nnc(Cc2ccc3c(c2)OCO3)o1.CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)c1noc(Cc2ccc3c(c2)OCO3)n1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)C(c4ccccc4)N(C)C3=O)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)N[C@H](C(C)C)C3=O)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)Cn3c(=O)[nH]n(Cc4ccccc4)c3=O)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)[C@@H]3Cc4ccccc4CN3C(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)C)C(C)C)o2)c1.
What is the InChIKey of benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;2-(1-benzyl-3,5-dioxo-1,2,4-triazolidin-4-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;benzyl N-[(2S)-3-methyl-1-[(3S)-3-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxobutan-2-yl]carbamate;2-[(4S)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-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)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-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-propan-2-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(3-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(3-methyl-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?
The InChIKey is ADUHHGBWQIUZLN-NSVOWZBESA-N. The full InChI is InChI=1S/C38H43N5O6.2C33H37F3N6O6.2C33H39N5O8.C27H26F3N5O5.C27H29N5O5.C26H28N6O5.C23H29N5O5/c1-23(2)32(34(44)36-42-41-31(49-36)19-27-15-11-12-25(5)18-27)39-35(45)30-20-28-16-9-10-17-29(28)21-43(30)37(46)33(24(3)4)40-38(47)48-22-26-13-7-6-8-14-26;2*1-21(2)28(29(44)30-38-27(48-39-30)19-23-9-6-10-24(17-23)33(34,35)36)37-26(43)20-42-31(45)25(18-22-7-4-3-5-8-22)41(32(42)46)12-11-40-13-15-47-16-14-40;1-19(2)27(29(39)30-34-26(46-37-30)16-22-12-13-24-25(15-22)45-18-44-24)35-31(40)23-11-8-14-38(23)32(41)28(20(3)4)36-33(42)43-17-21-9-6-5-7-10-21;1-19(2)27(29(39)31-37-36-26(46-31)16-22-12-13-24-25(15-22)45-18-44-24)34-30(40)23-11-8-14-38(23)32(41)28(20(3)4)35-33(42)43-17-21-9-6-5-7-10-21;1-15(2)21(23(37)24-32-20(40-33-24)13-16-8-7-11-18(12-16)27(28,29)30)31-19(36)14-35-25(38)22(34(3)26(35)39)17-9-5-4-6-10-17;1-16(2)22(24(34)25-30-29-21(37-25)14-18-10-8-9-17(3)13-18)28-20(33)15-32-26(35)23(31(4)27(32)36)19-11-6-5-7-12-19;1-16(2)22(23(34)24-29-28-21(37-24)13-19-11-7-8-17(3)12-19)27-20(33)15-31-25(35)30-32(26(31)36)14-18-9-5-4-6-10-18;1-12(2)18(24-16(29)11-28-22(31)19(13(3)4)25-23(28)32)20(30)21-27-26-17(33-21)10-15-8-6-7-14(5)9-15/h6-18,23-24,30,32-33H,19-22H2,1-5H3,(H,39,45)(H,40,47);2*3-10,17,21,25,28H,11-16,18-20H2,1-2H3,(H,37,43);5-7,9-10,12-13,15,19-20,23,27-28H,8,11,14,16-18H2,1-4H3,(H,35,40)(H,36,42);5-7,9-10,12-13,15,19-20,23,27-28H,8,11,14,16-18H2,1-4H3,(H,34,40)(H,35,42);4-12,15,21-22H,13-14H2,1-3H3,(H,31,36);5-13,16,22-23H,14-15H2,1-4H3,(H,28,33);4-12,16,22H,13-15H2,1-3H3,(H,27,33)(H,30,35);6-9,12-13,18-19H,10-11H2,1-5H3,(H,24,29)(H,25,32)/t30-,32-,33-;25-,28+;25-,28-;2*23-,27-,28-;21-,22?;22-,23?;22-;18-,19+/m010000000/s1.
What are the key properties of benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;2-(1-benzyl-3,5-dioxo-1,2,4-triazolidin-4-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;benzyl N-[(2S)-3-methyl-1-[(3S)-3-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxobutan-2-yl]carbamate;2-[(4S)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-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)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-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-propan-2-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(3-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(3-methyl-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?
benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;2-(1-benzyl-3,5-dioxo-1,2,4-triazolidin-4-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;benzyl N-[(2S)-3-methyl-1-[(3S)-3-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxobutan-2-yl]carbamate;2-[(4S)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-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)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-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-propan-2-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(3-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(3-methyl-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 has a molecular weight of 5295.72 g/mol, XLogP of 29.05, 99 rotatable bonds, 14 hydrogen bond donors, and 76 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;2-(1-benzyl-3,5-dioxo-1,2,4-triazolidin-4-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;benzyl N-[(2S)-3-methyl-1-[(3S)-3-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxobutan-2-yl]carbamate;2-[(4S)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-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)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-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-propan-2-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(3-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(3-methyl-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 is sourced from PubChem (CID 157083227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).