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-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;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
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-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;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 (PubChem CID 161241995) has the molecular formula C143H143ClN28O21
and a molecular weight of 2625.34 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-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;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.
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-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;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?
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-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;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 161241995) 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-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;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.
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-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;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?
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-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;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 is CCC(NC(=O)CN1C(=O)C(N)N=C(c2ccccc2)c2cc(Cl)ccc21)C(=O)c1nnc(-c2ccccc2)o1.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)CN=C(c4ccccn4)c4ccccc43)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)NC(C)(c4ccccn4)C3=O)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)Cn3c(=O)cnc4ccccc43)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-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;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?
The InChIKey is VADBYYCPTXYDAO-WWMIDFLVSA-N. The full InChI is InChI=1S/C32H35N5O4.C31H30N6O4.C29H25ClN6O4.C26H28N6O5.C25H25N5O4/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;1-19(2)28(30(40)31-36-35-26(41-31)16-21-10-8-9-20(3)15-21)34-25(38)18-37-24-13-5-4-11-22(24)29(33-17-27(37)39)23-12-6-7-14-32-23;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)21(22(34)23-31-30-20(37-23)13-17-9-7-8-16(3)12-17)28-19(33)14-32-24(35)26(4,29-25(32)36)18-10-5-6-11-27-18;1-15(2)23(24(33)25-29-28-21(34-25)12-17-8-6-7-16(3)11-17)27-20(31)14-30-19-10-5-4-9-18(19)26-13-22(30)32/h4-17,22,29H,18-21H2,1-3H3,(H,33,40)(H,34,38);4-15,19,28H,16-18H2,1-3H3,(H,34,38);3-15,21,26H,2,16,31H2,1H3,(H,32,37);5-12,15,21H,13-14H2,1-4H3,(H,28,33)(H,29,36);4-11,13,15,23H,12,14H2,1-3H3,(H,27,31)/t29-;28-;;21-,26?;23-/m00.00/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-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;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?
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-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;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 has a molecular weight of 2625.34 g/mol, XLogP of 16.77, 46 rotatable bonds, 8 hydrogen bond donors, and 38 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-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;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 is sourced from PubChem (CID 161241995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).