About (2R,3R)-N-[(1S)-1-[4-(benzimidazol-1-yl)phenyl]ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-(benzimidazol-1-yl)phenyl]ethyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[(4-imidazol-1-ylphenyl)methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(4-piperidin-1-ylphenyl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1S)-1-(4-indol-1-ylphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1S)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[(1S)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide
(2R,3R)-N-[(1S)-1-[4-(benzimidazol-1-yl)phenyl]ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-(benzimidazol-1-yl)phenyl]ethyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[(4-imidazol-1-ylphenyl)methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(4-piperidin-1-ylphenyl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1S)-1-(4-indol-1-ylphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1S)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[(1S)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide (PubChem CID 159802040) has the molecular formula C306H332Cl4N44O50
and a molecular weight of 5568.09 g/mol. Its IUPAC name is (2R,3R)-N-[(1S)-1-[4-(benzimidazol-1-yl)phenyl]ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-(benzimidazol-1-yl)phenyl]ethyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[(4-imidazol-1-ylphenyl)methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(4-piperidin-1-ylphenyl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1S)-1-(4-indol-1-ylphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1S)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[(1S)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide.
Frequently Asked Questions
What is the IUPAC name of (2R,3R)-N-[(1S)-1-[4-(benzimidazol-1-yl)phenyl]ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-(benzimidazol-1-yl)phenyl]ethyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[(4-imidazol-1-ylphenyl)methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(4-piperidin-1-ylphenyl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1S)-1-(4-indol-1-ylphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1S)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[(1S)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide?
The IUPAC name of (2R,3R)-N-[(1S)-1-[4-(benzimidazol-1-yl)phenyl]ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-(benzimidazol-1-yl)phenyl]ethyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[(4-imidazol-1-ylphenyl)methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(4-piperidin-1-ylphenyl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1S)-1-(4-indol-1-ylphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1S)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[(1S)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide (CID 159802040) is (2R,3R)-N-[(1S)-1-[4-(benzimidazol-1-yl)phenyl]ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-(benzimidazol-1-yl)phenyl]ethyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[(4-imidazol-1-ylphenyl)methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(4-piperidin-1-ylphenyl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1S)-1-(4-indol-1-ylphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1S)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[(1S)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide.
What is the SMILES notation for (2R,3R)-N-[(1S)-1-[4-(benzimidazol-1-yl)phenyl]ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-(benzimidazol-1-yl)phenyl]ethyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[(4-imidazol-1-ylphenyl)methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(4-piperidin-1-ylphenyl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1S)-1-(4-indol-1-ylphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1S)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[(1S)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide?
The canonical SMILES for (2R,3R)-N-[(1S)-1-[4-(benzimidazol-1-yl)phenyl]ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-(benzimidazol-1-yl)phenyl]ethyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[(4-imidazol-1-ylphenyl)methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(4-piperidin-1-ylphenyl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1S)-1-(4-indol-1-ylphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1S)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[(1S)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide is COC[C@@H]1CCCN1c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(Cl)c2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1)c1ccc(-n2cccn2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1)c1ccc(-n2cnc3ccccc32)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1)c1ccc(-n2cccn2)cc1.C[C@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1)c1ccc(-n2cccn2)cc1.C[C@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1)c1ccc(-n2ccc3ccccc32)cc1.C[C@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1)c1ccc(-n2ccnc2)cc1.C[C@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1)c1ccc(-n2cnc3ccccc32)cc1.C[C@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1)c1ccc(N2CCCC2=O)cc1.Cc1nccn1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(Cl)c2)cc1.O=C(NCc1ccc(-n2ccnc2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1.O=C(NCc1ccc(N2CCCCC2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1.
What is the InChIKey of (2R,3R)-N-[(1S)-1-[4-(benzimidazol-1-yl)phenyl]ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-(benzimidazol-1-yl)phenyl]ethyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[(4-imidazol-1-ylphenyl)methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(4-piperidin-1-ylphenyl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1S)-1-(4-indol-1-ylphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1S)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[(1S)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide?
The InChIKey is NJXMPVHIBYPFAJ-XOFIUXNISA-N. The full InChI is InChI=1S/C29H30N4O4.C28H27N3O4.C27H34ClN3O5.C27H26N4O4.C26H32ClN3O4.C25H27ClN4O4.2C25H28N4O4.C24H25ClN4O4.C24H27N3O5.2C23H24N4O4/c1-19(20-13-15-22(16-14-20)33-18-30-23-10-5-6-11-25(23)33)31-28(36)26(34)27(35)29(37)32-17-7-12-24(32)21-8-3-2-4-9-21;1-18(19-10-12-23(13-11-19)31-15-14-20-6-4-5-9-24(20)31)29-27(34)25(32)26(33)28(35)30-16-21-7-2-3-8-22(21)17-30;1-36-17-22-7-3-13-30(22)21-11-9-18(10-12-21)16-29-26(34)24(32)25(33)27(35)31-14-4-8-23(31)19-5-2-6-20(28)15-19;1-17(18-10-12-21(13-11-18)31-16-28-22-8-4-5-9-23(22)31)29-26(34)24(32)25(33)27(35)30-14-19-6-2-3-7-20(19)15-30;27-20-7-4-6-19(16-20)22-8-5-15-30(22)26(34)24(32)23(31)25(33)28-17-18-9-11-21(12-10-18)29-13-2-1-3-14-29;1-16-27-11-13-29(16)20-9-7-17(8-10-20)15-28-24(33)22(31)23(32)25(34)30-12-3-6-21(30)18-4-2-5-19(26)14-18;2*1-17(18-10-12-20(13-11-18)29-16-6-14-26-29)27-24(32)22(30)23(31)25(33)28-15-5-9-21(28)19-7-3-2-4-8-19;25-18-4-1-3-17(13-18)20-5-2-11-29(20)24(33)22(31)21(30)23(32)27-14-16-6-8-19(9-7-16)28-12-10-26-15-28;1-15(16-8-10-19(11-9-16)27-12-4-7-20(27)28)25-23(31)21(29)22(30)24(32)26-13-17-5-2-3-6-18(17)14-26;1-15(16-7-9-19(10-8-16)27-12-4-11-24-27)25-22(30)20(28)21(29)23(31)26-13-17-5-2-3-6-18(17)14-26;1-15(16-6-8-19(9-7-16)26-11-10-24-14-26)25-22(30)20(28)21(29)23(31)27-12-17-4-2-3-5-18(17)13-27/h2-6,8-11,13-16,18-19,24,26-27,34-35H,7,12,17H2,1H3,(H,31,36);2-15,18,25-26,32-33H,16-17H2,1H3,(H,29,34);2,5-6,9-12,15,22-25,32-33H,3-4,7-8,13-14,16-17H2,1H3,(H,29,34);2-13,16-17,24-25,32-33H,14-15H2,1H3,(H,29,34);4,6-7,9-12,16,22-24,31-32H,1-3,5,8,13-15,17H2,(H,28,33);2,4-5,7-11,13-14,21-23,31-32H,3,6,12,15H2,1H3,(H,28,33);2*2-4,6-8,10-14,16-17,21-23,30-31H,5,9,15H2,1H3,(H,27,32);1,3-4,6-10,12-13,15,20-22,30-31H,2,5,11,14H2,(H,27,32);2-3,5-6,8-11,15,21-22,29-30H,4,7,12-14H2,1H3,(H,25,31);2-12,15,20-21,28-29H,13-14H2,1H3,(H,25,30);2-11,14-15,20-21,28-29H,12-13H2,1H3,(H,25,30)/t19-,24-,26-,27-;18-,25+,26+;22-,23?,24+,25+;17-,24+,25+;22?,23-,24-;21?,22-,23-;17-,21+,22+,23+;17-,21-,22-,23-;20?,21-,22-;15-,21+,22+;15-,20-,21-;15-,20+,21+/m100011011010/s1.
What are the key properties of (2R,3R)-N-[(1S)-1-[4-(benzimidazol-1-yl)phenyl]ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-(benzimidazol-1-yl)phenyl]ethyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[(4-imidazol-1-ylphenyl)methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(4-piperidin-1-ylphenyl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1S)-1-(4-indol-1-ylphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1S)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[(1S)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide?
(2R,3R)-N-[(1S)-1-[4-(benzimidazol-1-yl)phenyl]ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-(benzimidazol-1-yl)phenyl]ethyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[(4-imidazol-1-ylphenyl)methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(4-piperidin-1-ylphenyl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1S)-1-(4-indol-1-ylphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1S)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[(1S)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide has a molecular weight of 5568.09 g/mol, XLogP of 27.43, 81 rotatable bonds, 36 hydrogen bond donors, and 69 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[(1S)-1-[4-(benzimidazol-1-yl)phenyl]ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-(benzimidazol-1-yl)phenyl]ethyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[(4-imidazol-1-ylphenyl)methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(4-piperidin-1-ylphenyl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1S)-1-(4-indol-1-ylphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1S)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[(1S)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide is sourced from PubChem (CID 159802040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).