About (2R,3R)-4-[(2R,3R,4S)-2-(3-chlorophenyl)-3,4-dihydroxypyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-[(2R,3S)-2-(3-chlorophenyl)-3-hydroxypyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(2-propoxy-3-pyridinyl)phenyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-ethoxy-3-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-[5-cyano-2-(methylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-[(2R)-2-[2-(methylamino)-5-methylsulfonyl-1,3-thiazol-4-yl]pyrrolidin-1-yl]-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-[(2R)-2-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[[4-(2-phenoxyphenyl)phenyl]methyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-(2-ethoxy-3-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-4-[(2R,4R)-2-[2-(ethylamino)-1,3-thiazol-4-yl]-4-methylpyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide
(2R,3R)-4-[(2R,3R,4S)-2-(3-chlorophenyl)-3,4-dihydroxypyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-[(2R,3S)-2-(3-chlorophenyl)-3-hydroxypyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(2-propoxy-3-pyridinyl)phenyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-ethoxy-3-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-[5-cyano-2-(methylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-[(2R)-2-[2-(methylamino)-5-methylsulfonyl-1,3-thiazol-4-yl]pyrrolidin-1-yl]-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-[(2R)-2-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[[4-(2-phenoxyphenyl)phenyl]methyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-(2-ethoxy-3-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-4-[(2R,4R)-2-[2-(ethylamino)-1,3-thiazol-4-yl]-4-methylpyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide (PubChem CID 159190894) has the molecular formula C253H290Cl4N44O49S5
and a molecular weight of 5033.51 g/mol. Its IUPAC name is (2R,3R)-4-[(2R,3R,4S)-2-(3-chlorophenyl)-3,4-dihydroxypyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-[(2R,3S)-2-(3-chlorophenyl)-3-hydroxypyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(2-propoxy-3-pyridinyl)phenyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-ethoxy-3-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-[5-cyano-2-(methylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-[(2R)-2-[2-(methylamino)-5-methylsulfonyl-1,3-thiazol-4-yl]pyrrolidin-1-yl]-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-[(2R)-2-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[[4-(2-phenoxyphenyl)phenyl]methyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-(2-ethoxy-3-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-4-[(2R,4R)-2-[2-(ethylamino)-1,3-thiazol-4-yl]-4-methylpyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide.
Frequently Asked Questions
What is the IUPAC name of (2R,3R)-4-[(2R,3R,4S)-2-(3-chlorophenyl)-3,4-dihydroxypyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-[(2R,3S)-2-(3-chlorophenyl)-3-hydroxypyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(2-propoxy-3-pyridinyl)phenyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-ethoxy-3-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-[5-cyano-2-(methylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-[(2R)-2-[2-(methylamino)-5-methylsulfonyl-1,3-thiazol-4-yl]pyrrolidin-1-yl]-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-[(2R)-2-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[[4-(2-phenoxyphenyl)phenyl]methyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-(2-ethoxy-3-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-4-[(2R,4R)-2-[2-(ethylamino)-1,3-thiazol-4-yl]-4-methylpyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide?
The IUPAC name of (2R,3R)-4-[(2R,3R,4S)-2-(3-chlorophenyl)-3,4-dihydroxypyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-[(2R,3S)-2-(3-chlorophenyl)-3-hydroxypyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(2-propoxy-3-pyridinyl)phenyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-ethoxy-3-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-[5-cyano-2-(methylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-[(2R)-2-[2-(methylamino)-5-methylsulfonyl-1,3-thiazol-4-yl]pyrrolidin-1-yl]-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-[(2R)-2-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[[4-(2-phenoxyphenyl)phenyl]methyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-(2-ethoxy-3-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-4-[(2R,4R)-2-[2-(ethylamino)-1,3-thiazol-4-yl]-4-methylpyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide (CID 159190894) is (2R,3R)-4-[(2R,3R,4S)-2-(3-chlorophenyl)-3,4-dihydroxypyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-[(2R,3S)-2-(3-chlorophenyl)-3-hydroxypyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(2-propoxy-3-pyridinyl)phenyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-ethoxy-3-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-[5-cyano-2-(methylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-[(2R)-2-[2-(methylamino)-5-methylsulfonyl-1,3-thiazol-4-yl]pyrrolidin-1-yl]-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-[(2R)-2-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[[4-(2-phenoxyphenyl)phenyl]methyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-(2-ethoxy-3-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-4-[(2R,4R)-2-[2-(ethylamino)-1,3-thiazol-4-yl]-4-methylpyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide.
What is the SMILES notation for (2R,3R)-4-[(2R,3R,4S)-2-(3-chlorophenyl)-3,4-dihydroxypyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-[(2R,3S)-2-(3-chlorophenyl)-3-hydroxypyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(2-propoxy-3-pyridinyl)phenyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-ethoxy-3-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-[5-cyano-2-(methylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-[(2R)-2-[2-(methylamino)-5-methylsulfonyl-1,3-thiazol-4-yl]pyrrolidin-1-yl]-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-[(2R)-2-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[[4-(2-phenoxyphenyl)phenyl]methyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-(2-ethoxy-3-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-4-[(2R,4R)-2-[2-(ethylamino)-1,3-thiazol-4-yl]-4-methylpyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide?
The canonical SMILES for (2R,3R)-4-[(2R,3R,4S)-2-(3-chlorophenyl)-3,4-dihydroxypyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-[(2R,3S)-2-(3-chlorophenyl)-3-hydroxypyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(2-propoxy-3-pyridinyl)phenyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-ethoxy-3-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-[5-cyano-2-(methylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-[(2R)-2-[2-(methylamino)-5-methylsulfonyl-1,3-thiazol-4-yl]pyrrolidin-1-yl]-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-[(2R)-2-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[[4-(2-phenoxyphenyl)phenyl]methyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-(2-ethoxy-3-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-4-[(2R,4R)-2-[2-(ethylamino)-1,3-thiazol-4-yl]-4-methylpyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide is CCCOc1ncccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)cc1.CCNc1nc([C@H]2C[C@@H](C)CN2C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)cs1.CCOc1ncccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2)cc1.CCOc1ncccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)cc1.CNc1nc([C@H]2CCCN2C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)c(C#N)s1.CNc1nc([C@H]2CCCN2C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)c(C)s1.CNc1nc([C@H]2CCCN2C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)c(S(C)(=O)=O)s1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CC[C@H](O)[C@H]1c1cccc(Cl)c1)c1ccc(-n2cccn2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1C[C@H](O)[C@H](O)[C@H]1c1cccc(Cl)c1)c1ccc(-n2cccn2)cc1.O=C(NCc1ccc(-c2ccccc2Oc2ccccc2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1.
What is the InChIKey of (2R,3R)-4-[(2R,3R,4S)-2-(3-chlorophenyl)-3,4-dihydroxypyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-[(2R,3S)-2-(3-chlorophenyl)-3-hydroxypyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(2-propoxy-3-pyridinyl)phenyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-ethoxy-3-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-[5-cyano-2-(methylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-[(2R)-2-[2-(methylamino)-5-methylsulfonyl-1,3-thiazol-4-yl]pyrrolidin-1-yl]-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-[(2R)-2-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[[4-(2-phenoxyphenyl)phenyl]methyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-(2-ethoxy-3-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-4-[(2R,4R)-2-[2-(ethylamino)-1,3-thiazol-4-yl]-4-methylpyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide?
The InChIKey is KOBOAEPBEMDMMV-CKYPXNKZSA-N. The full InChI is InChI=1S/C29H32ClN3O5.C28H30ClN3O5.C27H28N2O5.C25H27ClN4O6.C25H27ClN4O5.C25H32N6O4S.C24H27N7O4S.C24H30N6O6S2.C24H30N6O4S.C22H27N3O5/c1-2-16-38-28-23(8-4-14-31-28)20-12-10-19(11-13-20)18-32-27(36)25(34)26(35)29(37)33-15-5-9-24(33)21-6-3-7-22(30)17-21;1-2-37-27-22(8-4-14-30-27)19-12-10-18(11-13-19)17-31-26(35)24(33)25(34)28(36)32-15-5-9-23(32)20-6-3-7-21(29)16-20;30-24(25(31)27(33)29-16-6-7-17-29)26(32)28-18-19-12-14-20(15-13-19)22-10-4-5-11-23(22)34-21-8-2-1-3-9-21;1-14(15-6-8-18(9-7-15)30-11-3-10-27-30)28-24(35)22(33)23(34)25(36)29-13-19(31)21(32)20(29)16-4-2-5-17(26)12-16;1-15(16-6-8-19(9-7-16)30-12-3-11-27-30)28-24(34)22(32)23(33)25(35)29-13-10-20(31)21(29)17-4-2-5-18(26)14-17;1-4-26-25-29-19(14-36-25)20-12-15(2)13-30(20)24(35)22(33)21(32)23(34)28-16(3)17-6-8-18(9-7-17)31-11-5-10-27-31;1-14(15-6-8-16(9-7-15)31-12-4-10-27-31)28-22(34)20(32)21(33)23(35)30-11-3-5-17(30)19-18(13-25)36-24(26-2)29-19;1-14(15-7-9-16(10-8-15)30-13-5-11-26-30)27-21(33)19(31)20(32)22(34)29-12-4-6-17(29)18-23(38(3,35)36)37-24(25-2)28-18;1-14(16-7-9-17(10-8-16)30-13-5-11-26-30)27-22(33)20(31)21(32)23(34)29-12-4-6-18(29)19-15(2)35-24(25-3)28-19;1-2-30-21-17(6-5-11-23-21)16-9-7-15(8-10-16)14-24-20(28)18(26)19(27)22(29)25-12-3-4-13-25/h3-4,6-8,10-14,17,24-26,34-35H,2,5,9,15-16,18H2,1H3,(H,32,36);3-4,6-8,10-14,16,23-25,33-34H,2,5,9,15,17H2,1H3,(H,31,35);1-5,8-15,24-25,30-31H,6-7,16-18H2,(H,28,32);2-12,14,19-23,31-34H,13H2,1H3,(H,28,35);2-9,11-12,14-15,20-23,31-33H,10,13H2,1H3,(H,28,34);5-11,14-16,20-22,32-33H,4,12-13H2,1-3H3,(H,26,29)(H,28,34);4,6-10,12,14,17,20-21,32-33H,3,5,11H2,1-2H3,(H,26,29)(H,28,34);5,7-11,13-14,17,19-20,31-32H,4,6,12H2,1-3H3,(H,25,28)(H,27,33);5,7-11,13-14,18,20-21,31-32H,4,6,12H2,1-3H3,(H,25,28)(H,27,33);5-11,18-19,26-27H,2-4,12-14H2,1H3,(H,24,28)/t24-,25-,26-;23-,24-,25-;24-,25-;14-,19+,20-,21+,22-,23-;15-,20+,21-,22-,23-;15-,16-,20-,21-,22-;14-,17-,20-,21-;14-,17-,19-,20-;14-,18-,20-,21-;18-,19-/m1111111111/s1.
What are the key properties of (2R,3R)-4-[(2R,3R,4S)-2-(3-chlorophenyl)-3,4-dihydroxypyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-[(2R,3S)-2-(3-chlorophenyl)-3-hydroxypyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(2-propoxy-3-pyridinyl)phenyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-ethoxy-3-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-[5-cyano-2-(methylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-[(2R)-2-[2-(methylamino)-5-methylsulfonyl-1,3-thiazol-4-yl]pyrrolidin-1-yl]-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-[(2R)-2-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[[4-(2-phenoxyphenyl)phenyl]methyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-(2-ethoxy-3-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-4-[(2R,4R)-2-[2-(ethylamino)-1,3-thiazol-4-yl]-4-methylpyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide?
(2R,3R)-4-[(2R,3R,4S)-2-(3-chlorophenyl)-3,4-dihydroxypyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-[(2R,3S)-2-(3-chlorophenyl)-3-hydroxypyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(2-propoxy-3-pyridinyl)phenyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-ethoxy-3-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-[5-cyano-2-(methylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-[(2R)-2-[2-(methylamino)-5-methylsulfonyl-1,3-thiazol-4-yl]pyrrolidin-1-yl]-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-[(2R)-2-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[[4-(2-phenoxyphenyl)phenyl]methyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-(2-ethoxy-3-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-4-[(2R,4R)-2-[2-(ethylamino)-1,3-thiazol-4-yl]-4-methylpyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide has a molecular weight of 5033.51 g/mol, XLogP of 20.85, 83 rotatable bonds, 37 hydrogen bond donors, and 77 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-4-[(2R,3R,4S)-2-(3-chlorophenyl)-3,4-dihydroxypyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-[(2R,3S)-2-(3-chlorophenyl)-3-hydroxypyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(2-propoxy-3-pyridinyl)phenyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-ethoxy-3-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-[5-cyano-2-(methylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-[(2R)-2-[2-(methylamino)-5-methylsulfonyl-1,3-thiazol-4-yl]pyrrolidin-1-yl]-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-[(2R)-2-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[[4-(2-phenoxyphenyl)phenyl]methyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-(2-ethoxy-3-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-4-[(2R,4R)-2-[2-(ethylamino)-1,3-thiazol-4-yl]-4-methylpyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide is sourced from PubChem (CID 159190894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).