(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

C144H173F6N25O27S2 — CID 159893677

IUPAC(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
SMILESCC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1cccnc1)C(C)C)C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1.CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NS(C)(=O)=O)C(C)C)C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)[C@@H](Cc4ccccc4)N(CCN4CCOCC4)C3=O)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)[C@@H]3CCCN3C(=O)[C@@H](NS(=O)(=O)c3ccccc3)C(C)C)C(C)C)o2)c1
InChIInChI=1S/C33H40N6O6.C31H35F3N6O5.C31H39N5O6S.C26H34F3N5O6S.C23H25N3O4/c1-22(2)29(30(41)31-36-35-28(45-31)20-25-11-7-8-23(3)18-25)34-27(40)21-39-32(42)26(19-24-9-5-4-6-10-24)38(33(39)43)13-12-37-14-16-44-17-15-37;1-17(2)24(26(41)27-36-23(45-39-27)15-19-8-5-10-21(14-19)31(32,33)34)37-29(43)22-11-7-13-40(22)30(44)25(18(3)4)38-28(42)20-9-6-12-35-16-20;1-19(2)26(28(37)30-34-33-25(42-30)18-22-12-9-11-21(5)17-22)32-29(38)24-15-10-16-36(24)31(39)27(20(3)4)35-43(40,41)23-13-7-6-8-14-23;1-14(2)20(22(35)23-30-19(40-32-23)13-16-8-6-9-17(12-16)26(27,28)29)31-24(36)18-10-7-11-34(18)25(37)21(15(3)4)33-41(5,38)39;1-15(2)20(24-23(28)29-14-17-9-5-4-6-10-17)21(27)22-26-25-19(30-22)13-18-11-7-8-16(3)12-18/h4-11,18,22,26,29H,12-17,19-21H2,1-3H3,(H,34,40);5-6,8-10,12,14,16-18,22,24-25H,7,11,13,15H2,1-4H3,(H,37,43)(H,38,42);6-9,11-14,17,19-20,24,26-27,35H,10,15-16,18H2,1-5H3,(H,32,38);6,8-9,12,14-15,18,20-21,33H,7,10-11,13H2,1-5H3,(H,31,36);4-12,15,20H,13-14H2,1-3H3,(H,24,28)/t26-,29+;22-,24-,25-;24-,26-,27-;18-,20-,21-;20-/m10000/s1
InChIKeyNVBOGNJIFVCUAD-SBAAHDLBSA-N
MW2864.24 g/mol
LogP16.30
Rot. Bonds55

About (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

(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 (PubChem CID 159893677) has the molecular formula C144H173F6N25O27S2 and a molecular weight of 2864.24 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID159893677
Molecular FormulaC144H173F6N25O27S2
Molecular Weight2864.24 g/mol
Exact Mass2862.23
IUPAC Name(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
SMILESCC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1cccnc1)C(C)C)C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1.CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NS(C)(=O)=O)C(C)C)C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)[C@@H](Cc4ccccc4)N(CCN4CCOCC4)C3=O)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)[C@@H]3CCCN3C(=O)[C@@H](NS(=O)(=O)c3ccccc3)C(C)C)C(C)C)o2)c1
InChIInChI=1S/C33H40N6O6.C31H35F3N6O5.C31H39N5O6S.C26H34F3N5O6S.C23H25N3O4/c1-22(2)29(30(41)31-36-35-28(45-31)20-25-11-7-8-23(3)18-25)34-27(40)21-39-32(42)26(19-24-9-5-4-6-10-24)38(33(39)43)13-12-37-14-16-44-17-15-37;1-17(2)24(26(41)27-36-23(45-39-27)15-19-8-5-10-21(14-19)31(32,33)34)37-29(43)22-11-7-13-40(22)30(44)25(18(3)4)38-28(42)20-9-6-12-35-16-20;1-19(2)26(28(37)30-34-33-25(42-30)18-22-12-9-11-21(5)17-22)32-29(38)24-15-10-16-36(24)31(39)27(20(3)4)35-43(40,41)23-13-7-6-8-14-23;1-14(2)20(22(35)23-30-19(40-32-23)13-16-8-6-9-17(12-16)26(27,28)29)31-24(36)18-10-7-11-34(18)25(37)21(15(3)4)33-41(5,38)39;1-15(2)20(24-23(28)29-14-17-9-5-4-6-10-17)21(27)22-26-25-19(30-22)13-18-11-7-8-16(3)12-18/h4-11,18,22,26,29H,12-17,19-21H2,1-3H3,(H,34,40);5-6,8-10,12,14,16-18,22,24-25H,7,11,13,15H2,1-4H3,(H,37,43)(H,38,42);6-9,11-14,17,19-20,24,26-27,35H,10,15-16,18H2,1-5H3,(H,32,38);6,8-9,12,14-15,18,20-21,33H,7,10-11,13H2,1-5H3,(H,31,36);4-12,15,20H,13-14H2,1-3H3,(H,24,28)/t26-,29+;22-,24-,25-;24-,26-,27-;18-,20-,21-;20-/m10000/s1
InChIKeyNVBOGNJIFVCUAD-SBAAHDLBSA-N
XLogP16.30
TPSA683.03 Ų
H-Bond Donors8
H-Bond Acceptors39
Rotatable Bonds55
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002864.24
LogP ≤ 516.30
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

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

Analyze (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 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
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
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
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-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]pyrrolidine-2-carboxamide;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;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;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 160221856
(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;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-[(2R)-2-benzyl-4-(2-morpholin-4-ylethyl)-3,6-dioxopiperazin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;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
CID 160451917
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
2-[4-[4-(dimethylamino)phenyl]-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-(2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;2-[(4R)-2,5-dioxo-4-(pyridin-3-ylmethyl)imidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;propan-2-yl N-[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate
CID 162113257

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1cccnc1)C(C)C)C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1.CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NS(C)(=O)=O)C(C)C)C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)[C@@H](Cc4ccccc4)N(CCN4CCOCC4)C3=O)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)[C@@H]3CCCN3C(=O)[C@@H](NS(=O)(=O)c3ccccc3)C(C)C)C(C)C)o2)c1.
What is the InChIKey of (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?
The InChIKey is NVBOGNJIFVCUAD-SBAAHDLBSA-N. The full InChI is InChI=1S/C33H40N6O6.C31H35F3N6O5.C31H39N5O6S.C26H34F3N5O6S.C23H25N3O4/c1-22(2)29(30(41)31-36-35-28(45-31)20-25-11-7-8-23(3)18-25)34-27(40)21-39-32(42)26(19-24-9-5-4-6-10-24)38(33(39)43)13-12-37-14-16-44-17-15-37;1-17(2)24(26(41)27-36-23(45-39-27)15-19-8-5-10-21(14-19)31(32,33)34)37-29(43)22-11-7-13-40(22)30(44)25(18(3)4)38-28(42)20-9-6-12-35-16-20;1-19(2)26(28(37)30-34-33-25(42-30)18-22-12-9-11-21(5)17-22)32-29(38)24-15-10-16-36(24)31(39)27(20(3)4)35-43(40,41)23-13-7-6-8-14-23;1-14(2)20(22(35)23-30-19(40-32-23)13-16-8-6-9-17(12-16)26(27,28)29)31-24(36)18-10-7-11-34(18)25(37)21(15(3)4)33-41(5,38)39;1-15(2)20(24-23(28)29-14-17-9-5-4-6-10-17)21(27)22-26-25-19(30-22)13-18-11-7-8-16(3)12-18/h4-11,18,22,26,29H,12-17,19-21H2,1-3H3,(H,34,40);5-6,8-10,12,14,16-18,22,24-25H,7,11,13,15H2,1-4H3,(H,37,43)(H,38,42);6-9,11-14,17,19-20,24,26-27,35H,10,15-16,18H2,1-5H3,(H,32,38);6,8-9,12,14-15,18,20-21,33H,7,10-11,13H2,1-5H3,(H,31,36);4-12,15,20H,13-14H2,1-3H3,(H,24,28)/t26-,29+;22-,24-,25-;24-,26-,27-;18-,20-,21-;20-/m10000/s1.
What are the key properties of (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?
(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 has a molecular weight of 2864.24 g/mol, XLogP of 16.30, 55 rotatable bonds, 8 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 159893677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).