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

C139H166F9N27O29 — CID 158417294

IUPAC2-[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
SMILESCC(C)OC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1)C(C)C)C(C)C.CC(C)[C@H](NC(=O)CN1C(=O)NC(c2ccncc2)(N2C(=O)CCC2=O)C1=O)C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1.COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)c1nnc(Cc2cccc(C)c2)o1)C(C)C)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1)C(C)C)C(C)C.Cc1cccc(Cc2nnc(C(=O)C(NC(=O)CN3C[C@@H](c4ccccc4)NCC3=O)C(C)C)o2)c1
InChIInChI=1S/C29H26F3N7O7.C29H38F3N5O6.C27H34F3N5O6.C27H37N5O6.C27H31N5O4/c1-15(2)23(24(43)25-35-20(46-37-25)13-16-4-3-5-18(12-16)29(30,31)32)34-19(40)14-38-26(44)28(36-27(38)45,17-8-10-33-11-9-17)39-21(41)6-7-22(39)42;1-15(2)22(24(38)25-33-21(43-36-25)14-18-9-7-10-19(13-18)29(30,31)32)34-26(39)20-11-8-12-37(20)27(40)23(16(3)4)35-28(41)42-17(5)6;1-14(2)20(22(36)23-31-19(41-34-23)13-16-8-6-9-17(12-16)27(28,29)30)32-24(37)18-10-7-11-35(18)25(38)21(15(3)4)33-26(39)40-5;1-15(2)21(23(33)25-31-30-20(38-25)14-18-10-7-9-17(5)13-18)28-24(34)19-11-8-12-32(19)26(35)22(16(3)4)29-27(36)37-6;1-17(2)25(26(35)27-31-30-23(36-27)13-19-9-7-8-18(3)12-19)29-22(33)16-32-15-21(28-14-24(32)34)20-10-5-4-6-11-20/h3-5,8-12,15,23H,6-7,13-14H2,1-2H3,(H,34,40)(H,36,45);7,9-10,13,15-17,20,22-23H,8,11-12,14H2,1-6H3,(H,34,39)(H,35,41);6,8-9,12,14-15,18,20-21H,7,10-11,13H2,1-5H3,(H,32,37)(H,33,39);7,9-10,13,15-16,19,21-22H,8,11-12,14H2,1-6H3,(H,28,34)(H,29,36);4-12,17,21,25,28H,13-16H2,1-3H3,(H,29,33)/t23-,28?;20-,22-,23-;18-,20-,21-;19-,21-,22-;21-,25?/m00000/s1
InChIKeyHABBJZAECKIOBU-AGWSICFNSA-N
MW2850.00 g/mol
LogP14.61
Rot. Bonds50

About 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

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 (PubChem CID 158417294) has the molecular formula C139H166F9N27O29 and a molecular weight of 2850.00 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID158417294
Molecular FormulaC139H166F9N27O29
Molecular Weight2850.00 g/mol
Exact Mass2848.22
IUPAC Name2-[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
SMILESCC(C)OC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1)C(C)C)C(C)C.CC(C)[C@H](NC(=O)CN1C(=O)NC(c2ccncc2)(N2C(=O)CCC2=O)C1=O)C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1.COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)c1nnc(Cc2cccc(C)c2)o1)C(C)C)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1)C(C)C)C(C)C.Cc1cccc(Cc2nnc(C(=O)C(NC(=O)CN3C[C@@H](c4ccccc4)NCC3=O)C(C)C)o2)c1
InChIInChI=1S/C29H26F3N7O7.C29H38F3N5O6.C27H34F3N5O6.C27H37N5O6.C27H31N5O4/c1-15(2)23(24(43)25-35-20(46-37-25)13-16-4-3-5-18(12-16)29(30,31)32)34-19(40)14-38-26(44)28(36-27(38)45,17-8-10-33-11-9-17)39-21(41)6-7-22(39)42;1-15(2)22(24(38)25-33-21(43-36-25)14-18-9-7-10-19(13-18)29(30,31)32)34-26(39)20-11-8-12-37(20)27(40)23(16(3)4)35-28(41)42-17(5)6;1-14(2)20(22(36)23-31-19(41-34-23)13-16-8-6-9-17(12-16)27(28,29)30)32-24(37)18-10-7-11-35(18)25(38)21(15(3)4)33-26(39)40-5;1-15(2)21(23(33)25-31-30-20(38-25)14-18-10-7-9-17(5)13-18)28-24(34)19-11-8-12-32(19)26(35)22(16(3)4)29-27(36)37-6;1-17(2)25(26(35)27-31-30-23(36-27)13-19-9-7-8-18(3)12-19)29-22(33)16-32-15-21(28-14-24(32)34)20-10-5-4-6-11-20/h3-5,8-12,15,23H,6-7,13-14H2,1-2H3,(H,34,40)(H,36,45);7,9-10,13,15-17,20,22-23H,8,11-12,14H2,1-6H3,(H,34,39)(H,35,41);6,8-9,12,14-15,18,20-21H,7,10-11,13H2,1-5H3,(H,32,37)(H,33,39);7,9-10,13,15-16,19,21-22H,8,11-12,14H2,1-6H3,(H,28,34)(H,29,36);4-12,17,21,25,28H,13-16H2,1-3H3,(H,29,33)/t23-,28?;20-,22-,23-;18-,20-,21-;19-,21-,22-;21-,25?/m00000/s1
InChIKeyHABBJZAECKIOBU-AGWSICFNSA-N
XLogP14.61
TPSA733.39 Ų
H-Bond Donors10
H-Bond Acceptors41
Rotatable Bonds50
Heavy Atoms204
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002850.00
LogP ≤ 514.61
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)OC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1)C(C)C)C(C)C.CC(C)[C@H](NC(=O)CN1C(=O)NC(c2ccncc2)(N2C(=O)CCC2=O)C1=O)C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1.COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)c1nnc(Cc2cccc(C)c2)o1)C(C)C)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1)C(C)C)C(C)C.Cc1cccc(Cc2nnc(C(=O)C(NC(=O)CN3C[C@@H](c4ccccc4)NCC3=O)C(C)C)o2)c1.
What is the InChIKey of 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?
The InChIKey is HABBJZAECKIOBU-AGWSICFNSA-N. The full InChI is InChI=1S/C29H26F3N7O7.C29H38F3N5O6.C27H34F3N5O6.C27H37N5O6.C27H31N5O4/c1-15(2)23(24(43)25-35-20(46-37-25)13-16-4-3-5-18(12-16)29(30,31)32)34-19(40)14-38-26(44)28(36-27(38)45,17-8-10-33-11-9-17)39-21(41)6-7-22(39)42;1-15(2)22(24(38)25-33-21(43-36-25)14-18-9-7-10-19(13-18)29(30,31)32)34-26(39)20-11-8-12-37(20)27(40)23(16(3)4)35-28(41)42-17(5)6;1-14(2)20(22(36)23-31-19(41-34-23)13-16-8-6-9-17(12-16)27(28,29)30)32-24(37)18-10-7-11-35(18)25(38)21(15(3)4)33-26(39)40-5;1-15(2)21(23(33)25-31-30-20(38-25)14-18-10-7-9-17(5)13-18)28-24(34)19-11-8-12-32(19)26(35)22(16(3)4)29-27(36)37-6;1-17(2)25(26(35)27-31-30-23(36-27)13-19-9-7-8-18(3)12-19)29-22(33)16-32-15-21(28-14-24(32)34)20-10-5-4-6-11-20/h3-5,8-12,15,23H,6-7,13-14H2,1-2H3,(H,34,40)(H,36,45);7,9-10,13,15-17,20,22-23H,8,11-12,14H2,1-6H3,(H,34,39)(H,35,41);6,8-9,12,14-15,18,20-21H,7,10-11,13H2,1-5H3,(H,32,37)(H,33,39);7,9-10,13,15-16,19,21-22H,8,11-12,14H2,1-6H3,(H,28,34)(H,29,36);4-12,17,21,25,28H,13-16H2,1-3H3,(H,29,33)/t23-,28?;20-,22-,23-;18-,20-,21-;19-,21-,22-;21-,25?/m00000/s1.
What are the key properties of 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?
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 has a molecular weight of 2850.00 g/mol, XLogP of 14.61, 50 rotatable bonds, 10 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158417294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).