benzyl (3R)-3-benzyl-4-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-5-oxopiperazine-1-carboxylate;2-(3-benzyl-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-[(5S)-3,5-dibenzyl-2,4-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;N-(2,3-dihydro-1H-inden-1-yl)-N-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-1H-pyrrole-2-carboxamide;2-[4-[4-(dimethylamino)phenyl]-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

C156H162F6N26O25 — CID 158330524

IUPACbenzyl (3R)-3-benzyl-4-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-5-oxopiperazine-1-carboxylate;2-(3-benzyl-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-[(5S)-3,5-dibenzyl-2,4-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;N-(2,3-dihydro-1H-inden-1-yl)-N-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-1H-pyrrole-2-carboxamide;2-[4-[4-(dimethylamino)phenyl]-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
SMILESCC(C)[C@H](NC(=O)CN1C(=O)CN(Cc2ccccc2)C1=O)C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1.CC(C)[C@H](NC(=O)CN1C(=O)N(Cc2ccccc2)C(=O)[C@@H]1Cc1ccccc1)C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN(C(=O)c3ccc[nH]3)C3CCc4ccccc43)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)CN(C(=O)OCc4ccccc4)C[C@H]3Cc3ccccc3)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)NC(c4ccc(N(C)C)cc4)C3=O)C(C)C)o2)c1
InChIInChI=1S/C36H39N5O6.C34H32F3N5O5.C31H33N5O4.C28H32N6O5.C27H26F3N5O5/c1-24(2)33(34(44)35-39-38-31(47-35)19-28-16-10-11-25(3)17-28)37-30(42)21-41-29(18-26-12-6-4-7-13-26)20-40(22-32(41)43)36(45)46-23-27-14-8-5-9-15-27;1-21(2)29(30(44)31-39-28(47-40-31)18-24-14-9-15-25(16-24)34(35,36)37)38-27(43)20-41-26(17-22-10-5-3-6-11-22)32(45)42(33(41)46)19-23-12-7-4-8-13-23;1-19(2)28(29(38)30-35-34-27(40-30)17-21-9-6-8-20(3)16-21)33-26(37)18-36(31(39)24-12-7-15-32-24)25-14-13-22-10-4-5-11-23(22)25;1-16(2)23(25(36)26-32-31-22(39-26)14-18-8-6-7-17(3)13-18)29-21(35)15-34-27(37)24(30-28(34)38)19-9-11-20(12-10-19)33(4)5;1-16(2)23(24(38)25-32-21(40-33-25)12-18-9-6-10-19(11-18)27(28,29)30)31-20(36)14-35-22(37)15-34(26(35)39)13-17-7-4-3-5-8-17/h4-17,24,29,33H,18-23H2,1-3H3,(H,37,42);3-16,21,26,29H,17-20H2,1-2H3,(H,38,43);4-12,15-16,19,25,28,32H,13-14,17-18H2,1-3H3,(H,33,37);6-13,16,23-24H,14-15H2,1-5H3,(H,29,35)(H,30,38);3-11,16,23H,12-15H2,1-2H3,(H,31,36)/t29-,33+;26-,29-;25?,28-;23-,24?;23-/m10000/s1
InChIKeyGPYHSERXZIZJDS-INSJZGLTSA-N
MW2915.16 g/mol
LogP20.03
Rot. Bonds54

About benzyl (3R)-3-benzyl-4-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-5-oxopiperazine-1-carboxylate;2-(3-benzyl-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-[(5S)-3,5-dibenzyl-2,4-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;N-(2,3-dihydro-1H-inden-1-yl)-N-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-1H-pyrrole-2-carboxamide;2-[4-[4-(dimethylamino)phenyl]-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

benzyl (3R)-3-benzyl-4-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-5-oxopiperazine-1-carboxylate;2-(3-benzyl-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-[(5S)-3,5-dibenzyl-2,4-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;N-(2,3-dihydro-1H-inden-1-yl)-N-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-1H-pyrrole-2-carboxamide;2-[4-[4-(dimethylamino)phenyl]-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 (PubChem CID 158330524) has the molecular formula C156H162F6N26O25 and a molecular weight of 2915.16 g/mol. Its IUPAC name is benzyl (3R)-3-benzyl-4-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-5-oxopiperazine-1-carboxylate;2-(3-benzyl-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-[(5S)-3,5-dibenzyl-2,4-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;N-(2,3-dihydro-1H-inden-1-yl)-N-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-1H-pyrrole-2-carboxamide;2-[4-[4-(dimethylamino)phenyl]-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.

Molecular Properties

Compound Namebenzyl (3R)-3-benzyl-4-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-5-oxopiperazine-1-carboxylate;2-(3-benzyl-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-[(5S)-3,5-dibenzyl-2,4-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;N-(2,3-dihydro-1H-inden-1-yl)-N-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-1H-pyrrole-2-carboxamide;2-[4-[4-(dimethylamino)phenyl]-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
PubChem CID158330524
Molecular FormulaC156H162F6N26O25
Molecular Weight2915.16 g/mol
Exact Mass2913.21
IUPAC Namebenzyl (3R)-3-benzyl-4-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-5-oxopiperazine-1-carboxylate;2-(3-benzyl-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-[(5S)-3,5-dibenzyl-2,4-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;N-(2,3-dihydro-1H-inden-1-yl)-N-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-1H-pyrrole-2-carboxamide;2-[4-[4-(dimethylamino)phenyl]-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
SMILESCC(C)[C@H](NC(=O)CN1C(=O)CN(Cc2ccccc2)C1=O)C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1.CC(C)[C@H](NC(=O)CN1C(=O)N(Cc2ccccc2)C(=O)[C@@H]1Cc1ccccc1)C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN(C(=O)c3ccc[nH]3)C3CCc4ccccc43)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)CN(C(=O)OCc4ccccc4)C[C@H]3Cc3ccccc3)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)NC(c4ccc(N(C)C)cc4)C3=O)C(C)C)o2)c1
InChIInChI=1S/C36H39N5O6.C34H32F3N5O5.C31H33N5O4.C28H32N6O5.C27H26F3N5O5/c1-24(2)33(34(44)35-39-38-31(47-35)19-28-16-10-11-25(3)17-28)37-30(42)21-41-29(18-26-12-6-4-7-13-26)20-40(22-32(41)43)36(45)46-23-27-14-8-5-9-15-27;1-21(2)29(30(44)31-39-28(47-40-31)18-24-14-9-15-25(16-24)34(35,36)37)38-27(43)20-41-26(17-22-10-5-3-6-11-22)32(45)42(33(41)46)19-23-12-7-4-8-13-23;1-19(2)28(29(38)30-35-34-27(40-30)17-21-9-6-8-20(3)16-21)33-26(37)18-36(31(39)24-12-7-15-32-24)25-14-13-22-10-4-5-11-23(22)25;1-16(2)23(25(36)26-32-31-22(39-26)14-18-8-6-7-17(3)13-18)29-21(35)15-34-27(37)24(30-28(34)38)19-9-11-20(12-10-19)33(4)5;1-16(2)23(24(38)25-32-21(40-33-25)12-18-9-6-10-19(11-18)27(28,29)30)31-20(36)14-35-22(37)15-34(26(35)39)13-17-7-4-3-5-8-17/h4-17,24,29,33H,18-23H2,1-3H3,(H,37,42);3-16,21,26,29H,17-20H2,1-2H3,(H,38,43);4-12,15-16,19,25,28,32H,13-14,17-18H2,1-3H3,(H,33,37);6-13,16,23-24H,14-15H2,1-5H3,(H,29,35)(H,30,38);3-11,16,23H,12-15H2,1-2H3,(H,31,36)/t29-,33+;26-,29-;25?,28-;23-,24?;23-/m10000/s1
InChIKeyGPYHSERXZIZJDS-INSJZGLTSA-N
XLogP20.03
TPSA645.29 Ų
H-Bond Donors7
H-Bond Acceptors36
Rotatable Bonds54
Heavy Atoms213
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002915.16
LogP ≤ 520.03
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze benzyl (3R)-3-benzyl-4-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-5-oxopiperazine-1-carboxylate;2-(3-benzyl-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-[(5S)-3,5-dibenzyl-2,4-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;N-(2,3-dihydro-1H-inden-1-yl)-N-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-1H-pyrrole-2-carboxamide;2-[4-[4-(dimethylamino)phenyl]-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 with MolForge

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Related Compounds

benzyl N-[(4S)-2-[2-[[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]amino]-2-oxoethyl]-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl]carbamate;benzyl N-[1-[2-[[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]amino]-2-oxoethyl]-2-oxopyrrolidin-3-yl]carbamate;2-[3,6-dioxo-2-(pyridin-4-ylmethyl)piperazin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;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]pyridine-3-carboxamide;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide
CID 157446941
CID 157501709
CID 157501709
CID 157805731
CID 157805731
2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;methyl 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;methyl 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;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-1-yl)acetamide;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 158411700
2-[4-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxo-4-pyridin-4-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;methyl 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;methyl 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;N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-[(5R)-2-oxo-5-phenylpiperazin-1-yl]acetamide;propan-2-yl 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 158417294
CID 158689561
CID 158689561
CID 158741347
CID 158741347
1-acetyl-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2,3-dihydroindole-2-carboxamide;N-benzyl-N-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-1H-pyrrole-2-carboxamide;benzyl N-[(4S)-1-[[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]carbamoyl]-3-oxo-4,5-dihydro-2H-1-benzazepin-4-yl]carbamate;2-[3,6-dioxo-2-(pyridin-4-ylmethyl)piperazin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;methane;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-3,5-dioxo-1-phenyl-1,2,4-triazolidine-4-carboxamide;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-oxo-5-phenyl-4,5-dihydro-3H-1,4-benzodiazepin-1-yl)acetamide
CID 159359651
(2S)-1-[(2S)-2-(benzenesulfonamido)-3-methylbutanoyl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]pyrrolidine-2-carboxamide;benzyl N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]carbamate;2-[(4R)-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;(2S)-1-[(2S)-2-(methanesulfonamido)-3-methylbutanoyl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]pyrrolidine-2-carboxamide;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]pyridine-3-carboxamide
CID 159893677
CID 160511706
CID 160511706
CID 161557645
CID 161557645
benzyl (2R)-4-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-5-oxo-2-phenylpiperazine-1-carboxylate;2-[(4R)-2,5-dioxo-4-(pyridin-2-ylmethyl)imidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[4-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxo-4-pyridin-4-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;propan-2-yl 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 161833202

Frequently Asked Questions

What is the IUPAC name of benzyl (3R)-3-benzyl-4-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-5-oxopiperazine-1-carboxylate;2-(3-benzyl-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-[(5S)-3,5-dibenzyl-2,4-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;N-(2,3-dihydro-1H-inden-1-yl)-N-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-1H-pyrrole-2-carboxamide;2-[4-[4-(dimethylamino)phenyl]-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?
The IUPAC name of benzyl (3R)-3-benzyl-4-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-5-oxopiperazine-1-carboxylate;2-(3-benzyl-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-[(5S)-3,5-dibenzyl-2,4-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;N-(2,3-dihydro-1H-inden-1-yl)-N-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-1H-pyrrole-2-carboxamide;2-[4-[4-(dimethylamino)phenyl]-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 (CID 158330524) is benzyl (3R)-3-benzyl-4-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-5-oxopiperazine-1-carboxylate;2-(3-benzyl-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-[(5S)-3,5-dibenzyl-2,4-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;N-(2,3-dihydro-1H-inden-1-yl)-N-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-1H-pyrrole-2-carboxamide;2-[4-[4-(dimethylamino)phenyl]-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.
What is the SMILES notation for benzyl (3R)-3-benzyl-4-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-5-oxopiperazine-1-carboxylate;2-(3-benzyl-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-[(5S)-3,5-dibenzyl-2,4-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;N-(2,3-dihydro-1H-inden-1-yl)-N-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-1H-pyrrole-2-carboxamide;2-[4-[4-(dimethylamino)phenyl]-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?
The canonical SMILES for benzyl (3R)-3-benzyl-4-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-5-oxopiperazine-1-carboxylate;2-(3-benzyl-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-[(5S)-3,5-dibenzyl-2,4-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;N-(2,3-dihydro-1H-inden-1-yl)-N-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-1H-pyrrole-2-carboxamide;2-[4-[4-(dimethylamino)phenyl]-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 is CC(C)[C@H](NC(=O)CN1C(=O)CN(Cc2ccccc2)C1=O)C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1.CC(C)[C@H](NC(=O)CN1C(=O)N(Cc2ccccc2)C(=O)[C@@H]1Cc1ccccc1)C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN(C(=O)c3ccc[nH]3)C3CCc4ccccc43)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)CN(C(=O)OCc4ccccc4)C[C@H]3Cc3ccccc3)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)NC(c4ccc(N(C)C)cc4)C3=O)C(C)C)o2)c1.
What is the InChIKey of benzyl (3R)-3-benzyl-4-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-5-oxopiperazine-1-carboxylate;2-(3-benzyl-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-[(5S)-3,5-dibenzyl-2,4-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;N-(2,3-dihydro-1H-inden-1-yl)-N-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-1H-pyrrole-2-carboxamide;2-[4-[4-(dimethylamino)phenyl]-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?
The InChIKey is GPYHSERXZIZJDS-INSJZGLTSA-N. The full InChI is InChI=1S/C36H39N5O6.C34H32F3N5O5.C31H33N5O4.C28H32N6O5.C27H26F3N5O5/c1-24(2)33(34(44)35-39-38-31(47-35)19-28-16-10-11-25(3)17-28)37-30(42)21-41-29(18-26-12-6-4-7-13-26)20-40(22-32(41)43)36(45)46-23-27-14-8-5-9-15-27;1-21(2)29(30(44)31-39-28(47-40-31)18-24-14-9-15-25(16-24)34(35,36)37)38-27(43)20-41-26(17-22-10-5-3-6-11-22)32(45)42(33(41)46)19-23-12-7-4-8-13-23;1-19(2)28(29(38)30-35-34-27(40-30)17-21-9-6-8-20(3)16-21)33-26(37)18-36(31(39)24-12-7-15-32-24)25-14-13-22-10-4-5-11-23(22)25;1-16(2)23(25(36)26-32-31-22(39-26)14-18-8-6-7-17(3)13-18)29-21(35)15-34-27(37)24(30-28(34)38)19-9-11-20(12-10-19)33(4)5;1-16(2)23(24(38)25-32-21(40-33-25)12-18-9-6-10-19(11-18)27(28,29)30)31-20(36)14-35-22(37)15-34(26(35)39)13-17-7-4-3-5-8-17/h4-17,24,29,33H,18-23H2,1-3H3,(H,37,42);3-16,21,26,29H,17-20H2,1-2H3,(H,38,43);4-12,15-16,19,25,28,32H,13-14,17-18H2,1-3H3,(H,33,37);6-13,16,23-24H,14-15H2,1-5H3,(H,29,35)(H,30,38);3-11,16,23H,12-15H2,1-2H3,(H,31,36)/t29-,33+;26-,29-;25?,28-;23-,24?;23-/m10000/s1.
What are the key properties of benzyl (3R)-3-benzyl-4-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-5-oxopiperazine-1-carboxylate;2-(3-benzyl-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-[(5S)-3,5-dibenzyl-2,4-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;N-(2,3-dihydro-1H-inden-1-yl)-N-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-1H-pyrrole-2-carboxamide;2-[4-[4-(dimethylamino)phenyl]-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?
benzyl (3R)-3-benzyl-4-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-5-oxopiperazine-1-carboxylate;2-(3-benzyl-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-[(5S)-3,5-dibenzyl-2,4-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;N-(2,3-dihydro-1H-inden-1-yl)-N-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-1H-pyrrole-2-carboxamide;2-[4-[4-(dimethylamino)phenyl]-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 has a molecular weight of 2915.16 g/mol, XLogP of 20.03, 54 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3R)-3-benzyl-4-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-5-oxopiperazine-1-carboxylate;2-(3-benzyl-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-[(5S)-3,5-dibenzyl-2,4-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;N-(2,3-dihydro-1H-inden-1-yl)-N-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-1H-pyrrole-2-carboxamide;2-[4-[4-(dimethylamino)phenyl]-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 is sourced from PubChem (CID 158330524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).