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

C154H163F6N27O26 — CID 157446941

IUPACbenzyl 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
SMILESCC(C)[C@H](NC(=O)CN1CCC(NC(=O)OCc2ccccc2)C1=O)C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1.CC(C)[C@H](NC(=O)CN1Cc2ccccc2C[C@H](NC(=O)OCc2ccccc2)C1=O)C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)CN=C(c4ccccc4)c4ccccc43)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)CNC(=O)C3Cc3ccncc3)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)c3cccnc3)C(C)C)C(C)C)o2)c1
InChIInChI=1S/C35H34F3N5O6.C32H31N5O4.C31H38N6O5.C29H30F3N5O6.C27H30N6O5/c1-21(2)30(31(45)32-41-29(49-42-32)16-23-11-8-14-26(15-23)35(36,37)38)40-28(44)19-43-18-25-13-7-6-12-24(25)17-27(33(43)46)39-34(47)48-20-22-9-4-3-5-10-22;1-20(2)29(31(40)32-36-35-27(41-32)17-22-11-9-10-21(3)16-22)34-26(38)19-37-25-15-8-7-14-24(25)30(33-18-28(37)39)23-12-5-4-6-13-23;1-18(2)25(27(38)30-36-35-24(42-30)16-21-10-6-9-20(5)15-21)33-29(40)23-12-8-14-37(23)31(41)26(19(3)4)34-28(39)22-11-7-13-32-17-22;1-17(2)24(25(39)26-35-23(43-36-26)14-19-9-6-10-20(13-19)29(30,31)32)34-22(38)15-37-12-11-21(27(37)40)33-28(41)42-16-18-7-4-3-5-8-18;1-16(2)24(25(36)27-32-31-22(38-27)13-19-6-4-5-17(3)11-19)30-21(34)15-33-20(26(37)29-14-23(33)35)12-18-7-9-28-10-8-18/h3-15,21,27,30H,16-20H2,1-2H3,(H,39,47)(H,40,44);4-16,20,29H,17-19H2,1-3H3,(H,34,38);6-7,9-11,13,15,17-19,23,25-26H,8,12,14,16H2,1-5H3,(H,33,40)(H,34,39);3-10,13,17,21,24H,11-12,14-16H2,1-2H3,(H,33,41)(H,34,38);4-11,16,20,24H,12-15H2,1-3H3,(H,29,37)(H,30,34)/t27-,30-;29-;23-,25-,26-;21?,24-;20?,24-/m00000/s1
InChIKeyBSIJQVQSWUEXKO-ISBSCXTFSA-N
MW2922.15 g/mol
LogP16.98
Rot. Bonds52

About 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

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 (PubChem CID 157446941) has the molecular formula C154H163F6N27O26 and a molecular weight of 2922.15 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebenzyl 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
PubChem CID157446941
Molecular FormulaC154H163F6N27O26
Molecular Weight2922.15 g/mol
Exact Mass2920.22
IUPAC Namebenzyl 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
SMILESCC(C)[C@H](NC(=O)CN1CCC(NC(=O)OCc2ccccc2)C1=O)C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1.CC(C)[C@H](NC(=O)CN1Cc2ccccc2C[C@H](NC(=O)OCc2ccccc2)C1=O)C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)CN=C(c4ccccc4)c4ccccc43)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)CNC(=O)C3Cc3ccncc3)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)c3cccnc3)C(C)C)C(C)C)o2)c1
InChIInChI=1S/C35H34F3N5O6.C32H31N5O4.C31H38N6O5.C29H30F3N5O6.C27H30N6O5/c1-21(2)30(31(45)32-41-29(49-42-32)16-23-11-8-14-26(15-23)35(36,37)38)40-28(44)19-43-18-25-13-7-6-12-24(25)17-27(33(43)46)39-34(47)48-20-22-9-4-3-5-10-22;1-20(2)29(31(40)32-36-35-27(41-32)17-22-11-9-10-21(3)16-22)34-26(38)19-37-25-15-8-7-14-24(25)30(33-18-28(37)39)23-12-5-4-6-13-23;1-18(2)25(27(38)30-36-35-24(42-30)16-21-10-6-9-20(5)15-21)33-29(40)23-12-8-14-37(23)31(41)26(19(3)4)34-28(39)22-11-7-13-32-17-22;1-17(2)24(25(39)26-35-23(43-36-26)14-19-9-6-10-20(13-19)29(30,31)32)34-22(38)15-37-12-11-21(27(37)40)33-28(41)42-16-18-7-4-3-5-8-18;1-16(2)24(25(36)27-32-31-22(38-27)13-19-6-4-5-17(3)11-19)30-21(34)15-33-20(26(37)29-14-23(33)35)12-18-7-9-28-10-8-18/h3-15,21,27,30H,16-20H2,1-2H3,(H,39,47)(H,40,44);4-16,20,29H,17-19H2,1-3H3,(H,34,38);6-7,9-11,13,15,17-19,23,25-26H,8,12,14,16H2,1-5H3,(H,33,40)(H,34,39);3-10,13,17,21,24H,11-12,14-16H2,1-2H3,(H,33,41)(H,34,38);4-11,16,20,24H,12-15H2,1-3H3,(H,29,37)(H,30,34)/t27-,30-;29-;23-,25-,26-;21?,24-;20?,24-/m00000/s1
InChIKeyBSIJQVQSWUEXKO-ISBSCXTFSA-N
XLogP16.98
TPSA700.00 Ų
H-Bond Donors9
H-Bond Acceptors39
Rotatable Bonds52
Heavy Atoms213
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002922.15
LogP ≤ 516.98
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1039

Analyze 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 with MolForge

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Related Compounds

CID 157501709
CID 157501709
CID 157550627
CID 157550627
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-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
2-(3-amino-7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-[1-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-2-yl]acetamide;2-[benzyl(benzylcarbamoyl)amino]-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-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;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;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-oxo-3-piperidin-4-ylbenzimidazol-1-yl)acetamide
CID 159229147
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)[C@H](NC(=O)CN1CCC(NC(=O)OCc2ccccc2)C1=O)C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1.CC(C)[C@H](NC(=O)CN1Cc2ccccc2C[C@H](NC(=O)OCc2ccccc2)C1=O)C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)CN=C(c4ccccc4)c4ccccc43)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)CNC(=O)C3Cc3ccncc3)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)c3cccnc3)C(C)C)C(C)C)o2)c1.
What is the InChIKey of 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?
The InChIKey is BSIJQVQSWUEXKO-ISBSCXTFSA-N. The full InChI is InChI=1S/C35H34F3N5O6.C32H31N5O4.C31H38N6O5.C29H30F3N5O6.C27H30N6O5/c1-21(2)30(31(45)32-41-29(49-42-32)16-23-11-8-14-26(15-23)35(36,37)38)40-28(44)19-43-18-25-13-7-6-12-24(25)17-27(33(43)46)39-34(47)48-20-22-9-4-3-5-10-22;1-20(2)29(31(40)32-36-35-27(41-32)17-22-11-9-10-21(3)16-22)34-26(38)19-37-25-15-8-7-14-24(25)30(33-18-28(37)39)23-12-5-4-6-13-23;1-18(2)25(27(38)30-36-35-24(42-30)16-21-10-6-9-20(5)15-21)33-29(40)23-12-8-14-37(23)31(41)26(19(3)4)34-28(39)22-11-7-13-32-17-22;1-17(2)24(25(39)26-35-23(43-36-26)14-19-9-6-10-20(13-19)29(30,31)32)34-22(38)15-37-12-11-21(27(37)40)33-28(41)42-16-18-7-4-3-5-8-18;1-16(2)24(25(36)27-32-31-22(38-27)13-19-6-4-5-17(3)11-19)30-21(34)15-33-20(26(37)29-14-23(33)35)12-18-7-9-28-10-8-18/h3-15,21,27,30H,16-20H2,1-2H3,(H,39,47)(H,40,44);4-16,20,29H,17-19H2,1-3H3,(H,34,38);6-7,9-11,13,15,17-19,23,25-26H,8,12,14,16H2,1-5H3,(H,33,40)(H,34,39);3-10,13,17,21,24H,11-12,14-16H2,1-2H3,(H,33,41)(H,34,38);4-11,16,20,24H,12-15H2,1-3H3,(H,29,37)(H,30,34)/t27-,30-;29-;23-,25-,26-;21?,24-;20?,24-/m00000/s1.
What are the key properties of 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?
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 has a molecular weight of 2922.15 g/mol, XLogP of 16.98, 52 rotatable bonds, 9 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157446941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).