About 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
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 (PubChem CID 159229147) has the molecular formula C146H151ClF3N29O23
and a molecular weight of 2772.44 g/mol. Its IUPAC name is 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.
Frequently Asked Questions
What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is 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.CCC(NC(=O)CN1C(=O)C(N)N=C(c2ccccc2)c2cc(Cl)ccc21)C(=O)c1nnc(-c2ccccc2)o1.Cc1cccc(Cc2nnc(C(=O)C(NC(=O)CN3C[C@@H](c4ccccc4)NCC3=O)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN(Cc3ccccc3)C(=O)NCc3ccccc3)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)Cn3c(=O)n(C4CCNCC4)c4ccccc43)C(C)C)o2)c1.
What is the InChIKey of 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?
The InChIKey is KSRBRROBRIOWPI-XPQUFJEMSA-N. The full InChI is InChI=1S/C32H35N5O4.C29H25ClN6O4.C29H26F3N7O7.C29H34N6O4.C27H31N5O4/c1-22(2)29(30(39)31-36-35-28(41-31)18-26-16-10-11-23(3)17-26)34-27(38)21-37(20-25-14-8-5-9-15-25)32(40)33-19-24-12-6-4-7-13-24;1-2-21(25(38)28-35-34-27(40-28)18-11-7-4-8-12-18)32-23(37)16-36-22-14-13-19(30)15-20(22)24(33-26(31)29(36)39)17-9-5-3-6-10-17;1-15(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;1-18(2)26(27(37)28-33-32-25(39-28)16-20-8-6-7-19(3)15-20)31-24(36)17-34-22-9-4-5-10-23(22)35(29(34)38)21-11-13-30-14-12-21;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/h4-17,22,29H,18-21H2,1-3H3,(H,33,40)(H,34,38);3-15,21,26H,2,16,31H2,1H3,(H,32,37);3-5,8-12,15,23H,6-7,13-14H2,1-2H3,(H,34,40)(H,36,45);4-10,15,18,21,26,30H,11-14,16-17H2,1-3H3,(H,31,36);4-12,17,21,25,28H,13-16H2,1-3H3,(H,29,33)/t29-;;23-,28?;26-;21-,25?/m0.000/s1.
What are the key properties of 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?
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 has a molecular weight of 2772.44 g/mol, XLogP of 15.79, 48 rotatable bonds, 10 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159229147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).