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-[(5S)-3,5-dibenzyl-2,4-dioxoimidazolidin-1-yl]-N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-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;N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-[3-(2-morpholin-4-ylethyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide;N-[3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-[3-(2-morpholin-4-ylethyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide

C193H212F3N33O32 — CID 160511706

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-[(5S)-3,5-dibenzyl-2,4-dioxoimidazolidin-1-yl]-N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-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;N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-[3-(2-morpholin-4-ylethyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide;N-[3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-[3-(2-morpholin-4-ylethyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
SMILESCC(C)C(NC(=O)CN1C(=O)C(c2ccccc2)N(CCN2CCOCC2)C1=O)C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1.Cc1cccc(Cc2nnc(C(=O)C(NC(=O)CN3C(=O)C(c4ccccc4)N(CCN4CCOCC4)C3=O)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)C(NC(=O)CN3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3Cc3ccccc3)C(C)C)o2)c1.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.C34H35N5O5.C32H35F3N6O6.C32H38N6O6.C31H33N5O4.C28H32N6O5/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;1-22(2)30(31(41)32-37-36-29(44-32)19-26-16-10-11-23(3)17-26)35-28(40)21-38-27(18-24-12-6-4-7-13-24)33(42)39(34(38)43)20-25-14-8-5-9-15-25;1-20(2)26(28(43)29-37-25(47-38-29)18-21-7-6-10-23(17-21)32(33,34)35)36-24(42)19-41-30(44)27(22-8-4-3-5-9-22)40(31(41)45)12-11-39-13-15-46-16-14-39;1-21(2)27(29(40)30-35-34-26(44-30)19-23-9-7-8-22(3)18-23)33-25(39)20-38-31(41)28(24-10-5-4-6-11-24)37(32(38)42)13-12-36-14-16-43-17-15-36;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/h4-17,24,29,33H,18-23H2,1-3H3,(H,37,42);4-17,22,27,30H,18-21H2,1-3H3,(H,35,40);3-10,17,20,26-27H,11-16,18-19H2,1-2H3,(H,36,42);4-11,18,21,27-28H,12-17,19-20H2,1-3H3,(H,33,39);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)/t29-,33+;27-,30?;;;25?,28-;23-,24?/m10..00/s1
InChIKeyQTDAQCMTSUAZLR-IHNSVWDJSA-N
MW3563.01 g/mol
LogP21.82
Rot. Bonds68

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-[(5S)-3,5-dibenzyl-2,4-dioxoimidazolidin-1-yl]-N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-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;N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-[3-(2-morpholin-4-ylethyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide;N-[3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-[3-(2-morpholin-4-ylethyl)-2,5-dioxo-4-phenylimidazolidin-1-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-[(5S)-3,5-dibenzyl-2,4-dioxoimidazolidin-1-yl]-N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-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;N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-[3-(2-morpholin-4-ylethyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide;N-[3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-[3-(2-morpholin-4-ylethyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide (PubChem CID 160511706) has the molecular formula C193H212F3N33O32 and a molecular weight of 3563.01 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-[(5S)-3,5-dibenzyl-2,4-dioxoimidazolidin-1-yl]-N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-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;N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-[3-(2-morpholin-4-ylethyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide;N-[3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-[3-(2-morpholin-4-ylethyl)-2,5-dioxo-4-phenylimidazolidin-1-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-[(5S)-3,5-dibenzyl-2,4-dioxoimidazolidin-1-yl]-N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-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;N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-[3-(2-morpholin-4-ylethyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide;N-[3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-[3-(2-morpholin-4-ylethyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
PubChem CID160511706
Molecular FormulaC193H212F3N33O32
Molecular Weight3563.01 g/mol
Exact Mass3560.59
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-[(5S)-3,5-dibenzyl-2,4-dioxoimidazolidin-1-yl]-N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-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;N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-[3-(2-morpholin-4-ylethyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide;N-[3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-[3-(2-morpholin-4-ylethyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
SMILESCC(C)C(NC(=O)CN1C(=O)C(c2ccccc2)N(CCN2CCOCC2)C1=O)C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1.Cc1cccc(Cc2nnc(C(=O)C(NC(=O)CN3C(=O)C(c4ccccc4)N(CCN4CCOCC4)C3=O)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)C(NC(=O)CN3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3Cc3ccccc3)C(C)C)o2)c1.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.C34H35N5O5.C32H35F3N6O6.C32H38N6O6.C31H33N5O4.C28H32N6O5/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;1-22(2)30(31(41)32-37-36-29(44-32)19-26-16-10-11-23(3)17-26)35-28(40)21-38-27(18-24-12-6-4-7-13-24)33(42)39(34(38)43)20-25-14-8-5-9-15-25;1-20(2)26(28(43)29-37-25(47-38-29)18-21-7-6-10-23(17-21)32(33,34)35)36-24(42)19-41-30(44)27(22-8-4-3-5-9-22)40(31(41)45)12-11-39-13-15-46-16-14-39;1-21(2)27(29(40)30-35-34-26(44-30)19-23-9-7-8-22(3)18-23)33-25(39)20-38-31(41)28(24-10-5-4-6-11-24)37(32(38)42)13-12-36-14-16-43-17-15-36;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/h4-17,24,29,33H,18-23H2,1-3H3,(H,37,42);4-17,22,27,30H,18-21H2,1-3H3,(H,35,40);3-10,17,20,26-27H,11-16,18-19H2,1-2H3,(H,36,42);4-11,18,21,27-28H,12-17,19-20H2,1-3H3,(H,33,39);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)/t29-,33+;27-,30?;;;25?,28-;23-,24?/m10..00/s1
InChIKeyQTDAQCMTSUAZLR-IHNSVWDJSA-N
XLogP21.82
TPSA795.94 Ų
H-Bond Donors8
H-Bond Acceptors47
Rotatable Bonds68
Heavy Atoms261
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003563.01
LogP ≤ 521.82
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1047

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-[(5S)-3,5-dibenzyl-2,4-dioxoimidazolidin-1-yl]-N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-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;N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-[3-(2-morpholin-4-ylethyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide;N-[3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-[3-(2-morpholin-4-ylethyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide with MolForge

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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-[(5S)-3,5-dibenzyl-2,4-dioxoimidazolidin-1-yl]-N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-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;N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-[3-(2-morpholin-4-ylethyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide;N-[3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-[3-(2-morpholin-4-ylethyl)-2,5-dioxo-4-phenylimidazolidin-1-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-[(5S)-3,5-dibenzyl-2,4-dioxoimidazolidin-1-yl]-N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-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;N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-[3-(2-morpholin-4-ylethyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide;N-[3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-[3-(2-morpholin-4-ylethyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide (CID 160511706) 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-[(5S)-3,5-dibenzyl-2,4-dioxoimidazolidin-1-yl]-N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-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;N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-[3-(2-morpholin-4-ylethyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide;N-[3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-[3-(2-morpholin-4-ylethyl)-2,5-dioxo-4-phenylimidazolidin-1-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-[(5S)-3,5-dibenzyl-2,4-dioxoimidazolidin-1-yl]-N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-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;N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-[3-(2-morpholin-4-ylethyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide;N-[3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-[3-(2-morpholin-4-ylethyl)-2,5-dioxo-4-phenylimidazolidin-1-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-[(5S)-3,5-dibenzyl-2,4-dioxoimidazolidin-1-yl]-N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-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;N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-[3-(2-morpholin-4-ylethyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide;N-[3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-[3-(2-morpholin-4-ylethyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide is CC(C)C(NC(=O)CN1C(=O)C(c2ccccc2)N(CCN2CCOCC2)C1=O)C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1.Cc1cccc(Cc2nnc(C(=O)C(NC(=O)CN3C(=O)C(c4ccccc4)N(CCN4CCOCC4)C3=O)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)C(NC(=O)CN3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3Cc3ccccc3)C(C)C)o2)c1.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-[(5S)-3,5-dibenzyl-2,4-dioxoimidazolidin-1-yl]-N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-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;N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-[3-(2-morpholin-4-ylethyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide;N-[3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-[3-(2-morpholin-4-ylethyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The InChIKey is QTDAQCMTSUAZLR-IHNSVWDJSA-N. The full InChI is InChI=1S/C36H39N5O6.C34H35N5O5.C32H35F3N6O6.C32H38N6O6.C31H33N5O4.C28H32N6O5/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;1-22(2)30(31(41)32-37-36-29(44-32)19-26-16-10-11-23(3)17-26)35-28(40)21-38-27(18-24-12-6-4-7-13-24)33(42)39(34(38)43)20-25-14-8-5-9-15-25;1-20(2)26(28(43)29-37-25(47-38-29)18-21-7-6-10-23(17-21)32(33,34)35)36-24(42)19-41-30(44)27(22-8-4-3-5-9-22)40(31(41)45)12-11-39-13-15-46-16-14-39;1-21(2)27(29(40)30-35-34-26(44-30)19-23-9-7-8-22(3)18-23)33-25(39)20-38-31(41)28(24-10-5-4-6-11-24)37(32(38)42)13-12-36-14-16-43-17-15-36;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/h4-17,24,29,33H,18-23H2,1-3H3,(H,37,42);4-17,22,27,30H,18-21H2,1-3H3,(H,35,40);3-10,17,20,26-27H,11-16,18-19H2,1-2H3,(H,36,42);4-11,18,21,27-28H,12-17,19-20H2,1-3H3,(H,33,39);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)/t29-,33+;27-,30?;;;25?,28-;23-,24?/m10..00/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-[(5S)-3,5-dibenzyl-2,4-dioxoimidazolidin-1-yl]-N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-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;N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-[3-(2-morpholin-4-ylethyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide;N-[3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-[3-(2-morpholin-4-ylethyl)-2,5-dioxo-4-phenylimidazolidin-1-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-[(5S)-3,5-dibenzyl-2,4-dioxoimidazolidin-1-yl]-N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-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;N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-[3-(2-morpholin-4-ylethyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide;N-[3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-[3-(2-morpholin-4-ylethyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide has a molecular weight of 3563.01 g/mol, XLogP of 21.82, 68 rotatable bonds, 8 hydrogen bond donors, and 47 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-[(5S)-3,5-dibenzyl-2,4-dioxoimidazolidin-1-yl]-N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-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;N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-[3-(2-morpholin-4-ylethyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide;N-[3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-[3-(2-morpholin-4-ylethyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide is sourced from PubChem (CID 160511706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).