(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[1-[5-(2-isocyanophenyl)-2-pyridinyl]ethyl]-4-oxobutanamide;2-[6-[1-[[(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanoyl]amino]ethyl]-3-pyridinyl]benzamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[1-[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[1-[5-(2-ethoxyphenyl)-2-pyridinyl]ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-(3-cyano-4-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-2-methyl-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-3-methyl-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;4-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]pyridine-3-carboxamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[[4-(3-pyridin-4-ylthiophen-2-yl)phenyl]methyl]butanamide

C273H284Cl4F3N37O44S — CID 161175418

IUPAC(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[1-[5-(2-isocyanophenyl)-2-pyridinyl]ethyl]-4-oxobutanamide;2-[6-[1-[[(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanoyl]amino]ethyl]-3-pyridinyl]benzamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[1-[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[1-[5-(2-ethoxyphenyl)-2-pyridinyl]ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-(3-cyano-4-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-2-methyl-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-3-methyl-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;4-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]pyridine-3-carboxamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[[4-(3-pyridin-4-ylthiophen-2-yl)phenyl]methyl]butanamide
SMILESCC(NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1)c1ccc(-c2ccccc2C(N)=O)cn1.CC(NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1)c1ccc(-c2ccccc2OC(F)(F)F)cn1.CCOc1ccccc1-c1ccc(C(C)NC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)nc1.C[C@@H](NC(=O)[C@H](O)[C@@](C)(O)C(=O)N1CCCC1c1ccccc1)c1ccc(-n2cccn2)cc1.C[C@@H](NC(=O)[C@](C)(O)[C@@H](O)C(=O)N1CCCC1c1ccccc1)c1ccc(-n2cccn2)cc1.C[C@@H](NC(=O)[C@](C)(O)[C@@H](O)C(=O)N1Cc2ccccc2C1)c1ccc(-n2cccn2)cc1.N#Cc1cnccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2ccccc2)cc1.NC(=O)c1cnccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2ccccc2)cc1.O=C(NCc1ccc(-c2sccc2-c2ccncc2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1ccccc1.[C-]#[N+]c1ccccc1-c1ccc(C(C)NC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)nc1
InChIInChI=1S/C30H29N3O4S.C29H32ClN3O5.C28H27ClF3N3O5.C28H29ClN4O5.C28H27ClN4O4.C27H28N4O5.C27H26N4O4.2C26H30N4O4.C24H26N4O4/c34-26(27(35)30(37)33-17-4-7-25(33)22-5-2-1-3-6-22)29(36)32-19-20-8-10-23(11-9-20)28-24(14-18-38-28)21-12-15-31-16-13-21;1-3-38-25-12-5-4-10-22(25)20-13-14-23(31-17-20)18(2)32-28(36)26(34)27(35)29(37)33-15-7-11-24(33)19-8-6-9-21(30)16-19;1-16(21-12-11-18(15-33-21)20-8-2-3-10-23(20)40-28(30,31)32)34-26(38)24(36)25(37)27(39)35-13-5-9-22(35)17-6-4-7-19(29)14-17;1-16(22-12-11-18(15-31-22)20-8-2-3-9-21(20)26(30)36)32-27(37)24(34)25(35)28(38)33-13-5-10-23(33)17-6-4-7-19(29)14-17;1-17(22-13-12-19(16-31-22)21-9-3-4-10-23(21)30-2)32-27(36)25(34)26(35)28(37)33-14-6-11-24(33)18-7-5-8-20(29)15-18;28-25(34)21-16-29-13-12-20(21)18-10-8-17(9-11-18)15-30-26(35)23(32)24(33)27(36)31-14-4-7-22(31)19-5-2-1-3-6-19;28-15-21-17-29-13-12-22(21)19-10-8-18(9-11-19)16-30-26(34)24(32)25(33)27(35)31-14-4-7-23(31)20-5-2-1-3-6-20;1-18(19-11-13-21(14-12-19)30-17-7-15-27-30)28-25(33)26(2,34)23(31)24(32)29-16-6-10-22(29)20-8-4-3-5-9-20;1-18(19-11-13-21(14-12-19)30-17-7-15-27-30)28-24(32)23(31)26(2,34)25(33)29-16-6-10-22(29)20-8-4-3-5-9-20;1-16(17-8-10-20(11-9-17)28-13-5-12-25-28)26-23(31)24(2,32)21(29)22(30)27-14-18-6-3-4-7-19(18)15-27/h1-3,5-6,8-16,18,25-27,34-35H,4,7,17,19H2,(H,32,36);4-6,8-10,12-14,16-18,24,26-27,34-35H,3,7,11,15H2,1-2H3,(H,32,36);2-4,6-8,10-12,14-16,22,24-25,36-37H,5,9,13H2,1H3,(H,34,38);2-4,6-9,11-12,14-16,23-25,34-35H,5,10,13H2,1H3,(H2,30,36)(H,32,37);3-5,7-10,12-13,15-17,24-26,34-35H,6,11,14H2,1H3,(H,32,36);1-3,5-6,8-13,16,22-24,32-33H,4,7,14-15H2,(H2,28,34)(H,30,35);1-3,5-6,8-13,17,23-25,32-33H,4,7,14,16H2,(H,30,34);3-5,7-9,11-15,17-18,22-23,31,34H,6,10,16H2,1-2H3,(H,28,33);3-5,7-9,11-15,17-18,22-23,31,34H,6,10,16H2,1-2H3,(H,28,32);3-13,16,21,29,32H,14-15H2,1-2H3,(H,26,31)/t25?,26-,27-;18?,24-,26-,27-;16?,22-,24-,25-;16?,23-,24-,25-;17?,24-,25-,26-;22?,23-,24-;23?,24-,25-;2*18-,22?,23+,26-;16-,21+,24-/m1111111111/s1
InChIKeyURSUWKTYHVQGLC-HTIVEOQISA-N
MW5018.36 g/mol
LogP30.41
Rot. Bonds75

About (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[1-[5-(2-isocyanophenyl)-2-pyridinyl]ethyl]-4-oxobutanamide;2-[6-[1-[[(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanoyl]amino]ethyl]-3-pyridinyl]benzamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[1-[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[1-[5-(2-ethoxyphenyl)-2-pyridinyl]ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-(3-cyano-4-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-2-methyl-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-3-methyl-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;4-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]pyridine-3-carboxamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[[4-(3-pyridin-4-ylthiophen-2-yl)phenyl]methyl]butanamide

(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[1-[5-(2-isocyanophenyl)-2-pyridinyl]ethyl]-4-oxobutanamide;2-[6-[1-[[(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanoyl]amino]ethyl]-3-pyridinyl]benzamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[1-[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[1-[5-(2-ethoxyphenyl)-2-pyridinyl]ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-(3-cyano-4-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-2-methyl-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-3-methyl-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;4-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]pyridine-3-carboxamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[[4-(3-pyridin-4-ylthiophen-2-yl)phenyl]methyl]butanamide (PubChem CID 161175418) has the molecular formula C273H284Cl4F3N37O44S and a molecular weight of 5018.36 g/mol. Its IUPAC name is (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[1-[5-(2-isocyanophenyl)-2-pyridinyl]ethyl]-4-oxobutanamide;2-[6-[1-[[(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanoyl]amino]ethyl]-3-pyridinyl]benzamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[1-[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[1-[5-(2-ethoxyphenyl)-2-pyridinyl]ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-(3-cyano-4-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-2-methyl-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-3-methyl-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;4-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]pyridine-3-carboxamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[[4-(3-pyridin-4-ylthiophen-2-yl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[1-[5-(2-isocyanophenyl)-2-pyridinyl]ethyl]-4-oxobutanamide;2-[6-[1-[[(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanoyl]amino]ethyl]-3-pyridinyl]benzamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[1-[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[1-[5-(2-ethoxyphenyl)-2-pyridinyl]ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-(3-cyano-4-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-2-methyl-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-3-methyl-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;4-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]pyridine-3-carboxamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[[4-(3-pyridin-4-ylthiophen-2-yl)phenyl]methyl]butanamide
PubChem CID161175418
Molecular FormulaC273H284Cl4F3N37O44S
Molecular Weight5018.36 g/mol
Exact Mass5012.95
IUPAC Name(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[1-[5-(2-isocyanophenyl)-2-pyridinyl]ethyl]-4-oxobutanamide;2-[6-[1-[[(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanoyl]amino]ethyl]-3-pyridinyl]benzamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[1-[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[1-[5-(2-ethoxyphenyl)-2-pyridinyl]ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-(3-cyano-4-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-2-methyl-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-3-methyl-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;4-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]pyridine-3-carboxamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[[4-(3-pyridin-4-ylthiophen-2-yl)phenyl]methyl]butanamide
SMILESCC(NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1)c1ccc(-c2ccccc2C(N)=O)cn1.CC(NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1)c1ccc(-c2ccccc2OC(F)(F)F)cn1.CCOc1ccccc1-c1ccc(C(C)NC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)nc1.C[C@@H](NC(=O)[C@H](O)[C@@](C)(O)C(=O)N1CCCC1c1ccccc1)c1ccc(-n2cccn2)cc1.C[C@@H](NC(=O)[C@](C)(O)[C@@H](O)C(=O)N1CCCC1c1ccccc1)c1ccc(-n2cccn2)cc1.C[C@@H](NC(=O)[C@](C)(O)[C@@H](O)C(=O)N1Cc2ccccc2C1)c1ccc(-n2cccn2)cc1.N#Cc1cnccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2ccccc2)cc1.NC(=O)c1cnccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2ccccc2)cc1.O=C(NCc1ccc(-c2sccc2-c2ccncc2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1ccccc1.[C-]#[N+]c1ccccc1-c1ccc(C(C)NC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)nc1
InChIInChI=1S/C30H29N3O4S.C29H32ClN3O5.C28H27ClF3N3O5.C28H29ClN4O5.C28H27ClN4O4.C27H28N4O5.C27H26N4O4.2C26H30N4O4.C24H26N4O4/c34-26(27(35)30(37)33-17-4-7-25(33)22-5-2-1-3-6-22)29(36)32-19-20-8-10-23(11-9-20)28-24(14-18-38-28)21-12-15-31-16-13-21;1-3-38-25-12-5-4-10-22(25)20-13-14-23(31-17-20)18(2)32-28(36)26(34)27(35)29(37)33-15-7-11-24(33)19-8-6-9-21(30)16-19;1-16(21-12-11-18(15-33-21)20-8-2-3-10-23(20)40-28(30,31)32)34-26(38)24(36)25(37)27(39)35-13-5-9-22(35)17-6-4-7-19(29)14-17;1-16(22-12-11-18(15-31-22)20-8-2-3-9-21(20)26(30)36)32-27(37)24(34)25(35)28(38)33-13-5-10-23(33)17-6-4-7-19(29)14-17;1-17(22-13-12-19(16-31-22)21-9-3-4-10-23(21)30-2)32-27(36)25(34)26(35)28(37)33-14-6-11-24(33)18-7-5-8-20(29)15-18;28-25(34)21-16-29-13-12-20(21)18-10-8-17(9-11-18)15-30-26(35)23(32)24(33)27(36)31-14-4-7-22(31)19-5-2-1-3-6-19;28-15-21-17-29-13-12-22(21)19-10-8-18(9-11-19)16-30-26(34)24(32)25(33)27(35)31-14-4-7-23(31)20-5-2-1-3-6-20;1-18(19-11-13-21(14-12-19)30-17-7-15-27-30)28-25(33)26(2,34)23(31)24(32)29-16-6-10-22(29)20-8-4-3-5-9-20;1-18(19-11-13-21(14-12-19)30-17-7-15-27-30)28-24(32)23(31)26(2,34)25(33)29-16-6-10-22(29)20-8-4-3-5-9-20;1-16(17-8-10-20(11-9-17)28-13-5-12-25-28)26-23(31)24(2,32)21(29)22(30)27-14-18-6-3-4-7-19(18)15-27/h1-3,5-6,8-16,18,25-27,34-35H,4,7,17,19H2,(H,32,36);4-6,8-10,12-14,16-18,24,26-27,34-35H,3,7,11,15H2,1-2H3,(H,32,36);2-4,6-8,10-12,14-16,22,24-25,36-37H,5,9,13H2,1H3,(H,34,38);2-4,6-9,11-12,14-16,23-25,34-35H,5,10,13H2,1H3,(H2,30,36)(H,32,37);3-5,7-10,12-13,15-17,24-26,34-35H,6,11,14H2,1H3,(H,32,36);1-3,5-6,8-13,16,22-24,32-33H,4,7,14-15H2,(H2,28,34)(H,30,35);1-3,5-6,8-13,17,23-25,32-33H,4,7,14,16H2,(H,30,34);3-5,7-9,11-15,17-18,22-23,31,34H,6,10,16H2,1-2H3,(H,28,33);3-5,7-9,11-15,17-18,22-23,31,34H,6,10,16H2,1-2H3,(H,28,32);3-13,16,21,29,32H,14-15H2,1-2H3,(H,26,31)/t25?,26-,27-;18?,24-,26-,27-;16?,22-,24-,25-;16?,23-,24-,25-;17?,24-,25-,26-;22?,23-,24-;23?,24-,25-;2*18-,22?,23+,26-;16-,21+,24-/m1111111111/s1
InChIKeyURSUWKTYHVQGLC-HTIVEOQISA-N
XLogP30.41
TPSA1175.18 Ų
H-Bond Donors32
H-Bond Acceptors59
Rotatable Bonds75
Heavy Atoms362
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005018.36
LogP ≤ 530.41
H-Bond Donors ≤ 532
H-Bond Acceptors ≤ 1059

Analyze (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[1-[5-(2-isocyanophenyl)-2-pyridinyl]ethyl]-4-oxobutanamide;2-[6-[1-[[(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanoyl]amino]ethyl]-3-pyridinyl]benzamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[1-[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[1-[5-(2-ethoxyphenyl)-2-pyridinyl]ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-(3-cyano-4-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-2-methyl-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-3-methyl-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;4-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]pyridine-3-carboxamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[[4-(3-pyridin-4-ylthiophen-2-yl)phenyl]methyl]butanamide with MolForge

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Related Compounds

CID 157280575
CID 157280575
CID 157413805
CID 157413805
CID 157856227
CID 157856227
CID 157902228
CID 157902228
CID 159196864
CID 159196864
CID 159385197
CID 159385197
CID 159481501
CID 159481501
CID 159565119
CID 159565119
CID 160096943
CID 160096943
CID 160989227
CID 160989227
CID 161636418
CID 161636418
CID 158175098
CID 158175098

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[1-[5-(2-isocyanophenyl)-2-pyridinyl]ethyl]-4-oxobutanamide;2-[6-[1-[[(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanoyl]amino]ethyl]-3-pyridinyl]benzamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[1-[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[1-[5-(2-ethoxyphenyl)-2-pyridinyl]ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-(3-cyano-4-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-2-methyl-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-3-methyl-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;4-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]pyridine-3-carboxamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[[4-(3-pyridin-4-ylthiophen-2-yl)phenyl]methyl]butanamide?
The IUPAC name of (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[1-[5-(2-isocyanophenyl)-2-pyridinyl]ethyl]-4-oxobutanamide;2-[6-[1-[[(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanoyl]amino]ethyl]-3-pyridinyl]benzamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[1-[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[1-[5-(2-ethoxyphenyl)-2-pyridinyl]ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-(3-cyano-4-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-2-methyl-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-3-methyl-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;4-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]pyridine-3-carboxamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[[4-(3-pyridin-4-ylthiophen-2-yl)phenyl]methyl]butanamide (CID 161175418) is (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[1-[5-(2-isocyanophenyl)-2-pyridinyl]ethyl]-4-oxobutanamide;2-[6-[1-[[(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanoyl]amino]ethyl]-3-pyridinyl]benzamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[1-[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[1-[5-(2-ethoxyphenyl)-2-pyridinyl]ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-(3-cyano-4-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-2-methyl-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-3-methyl-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;4-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]pyridine-3-carboxamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[[4-(3-pyridin-4-ylthiophen-2-yl)phenyl]methyl]butanamide.
What is the SMILES notation for (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[1-[5-(2-isocyanophenyl)-2-pyridinyl]ethyl]-4-oxobutanamide;2-[6-[1-[[(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanoyl]amino]ethyl]-3-pyridinyl]benzamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[1-[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[1-[5-(2-ethoxyphenyl)-2-pyridinyl]ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-(3-cyano-4-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-2-methyl-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-3-methyl-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;4-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]pyridine-3-carboxamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[[4-(3-pyridin-4-ylthiophen-2-yl)phenyl]methyl]butanamide?
The canonical SMILES for (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[1-[5-(2-isocyanophenyl)-2-pyridinyl]ethyl]-4-oxobutanamide;2-[6-[1-[[(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanoyl]amino]ethyl]-3-pyridinyl]benzamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[1-[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[1-[5-(2-ethoxyphenyl)-2-pyridinyl]ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-(3-cyano-4-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-2-methyl-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-3-methyl-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;4-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]pyridine-3-carboxamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[[4-(3-pyridin-4-ylthiophen-2-yl)phenyl]methyl]butanamide is CC(NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1)c1ccc(-c2ccccc2C(N)=O)cn1.CC(NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1)c1ccc(-c2ccccc2OC(F)(F)F)cn1.CCOc1ccccc1-c1ccc(C(C)NC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)nc1.C[C@@H](NC(=O)[C@H](O)[C@@](C)(O)C(=O)N1CCCC1c1ccccc1)c1ccc(-n2cccn2)cc1.C[C@@H](NC(=O)[C@](C)(O)[C@@H](O)C(=O)N1CCCC1c1ccccc1)c1ccc(-n2cccn2)cc1.C[C@@H](NC(=O)[C@](C)(O)[C@@H](O)C(=O)N1Cc2ccccc2C1)c1ccc(-n2cccn2)cc1.N#Cc1cnccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2ccccc2)cc1.NC(=O)c1cnccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2ccccc2)cc1.O=C(NCc1ccc(-c2sccc2-c2ccncc2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1ccccc1.[C-]#[N+]c1ccccc1-c1ccc(C(C)NC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)nc1.
What is the InChIKey of (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[1-[5-(2-isocyanophenyl)-2-pyridinyl]ethyl]-4-oxobutanamide;2-[6-[1-[[(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanoyl]amino]ethyl]-3-pyridinyl]benzamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[1-[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[1-[5-(2-ethoxyphenyl)-2-pyridinyl]ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-(3-cyano-4-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-2-methyl-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-3-methyl-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;4-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]pyridine-3-carboxamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[[4-(3-pyridin-4-ylthiophen-2-yl)phenyl]methyl]butanamide?
The InChIKey is URSUWKTYHVQGLC-HTIVEOQISA-N. The full InChI is InChI=1S/C30H29N3O4S.C29H32ClN3O5.C28H27ClF3N3O5.C28H29ClN4O5.C28H27ClN4O4.C27H28N4O5.C27H26N4O4.2C26H30N4O4.C24H26N4O4/c34-26(27(35)30(37)33-17-4-7-25(33)22-5-2-1-3-6-22)29(36)32-19-20-8-10-23(11-9-20)28-24(14-18-38-28)21-12-15-31-16-13-21;1-3-38-25-12-5-4-10-22(25)20-13-14-23(31-17-20)18(2)32-28(36)26(34)27(35)29(37)33-15-7-11-24(33)19-8-6-9-21(30)16-19;1-16(21-12-11-18(15-33-21)20-8-2-3-10-23(20)40-28(30,31)32)34-26(38)24(36)25(37)27(39)35-13-5-9-22(35)17-6-4-7-19(29)14-17;1-16(22-12-11-18(15-31-22)20-8-2-3-9-21(20)26(30)36)32-27(37)24(34)25(35)28(38)33-13-5-10-23(33)17-6-4-7-19(29)14-17;1-17(22-13-12-19(16-31-22)21-9-3-4-10-23(21)30-2)32-27(36)25(34)26(35)28(37)33-14-6-11-24(33)18-7-5-8-20(29)15-18;28-25(34)21-16-29-13-12-20(21)18-10-8-17(9-11-18)15-30-26(35)23(32)24(33)27(36)31-14-4-7-22(31)19-5-2-1-3-6-19;28-15-21-17-29-13-12-22(21)19-10-8-18(9-11-19)16-30-26(34)24(32)25(33)27(35)31-14-4-7-23(31)20-5-2-1-3-6-20;1-18(19-11-13-21(14-12-19)30-17-7-15-27-30)28-25(33)26(2,34)23(31)24(32)29-16-6-10-22(29)20-8-4-3-5-9-20;1-18(19-11-13-21(14-12-19)30-17-7-15-27-30)28-24(32)23(31)26(2,34)25(33)29-16-6-10-22(29)20-8-4-3-5-9-20;1-16(17-8-10-20(11-9-17)28-13-5-12-25-28)26-23(31)24(2,32)21(29)22(30)27-14-18-6-3-4-7-19(18)15-27/h1-3,5-6,8-16,18,25-27,34-35H,4,7,17,19H2,(H,32,36);4-6,8-10,12-14,16-18,24,26-27,34-35H,3,7,11,15H2,1-2H3,(H,32,36);2-4,6-8,10-12,14-16,22,24-25,36-37H,5,9,13H2,1H3,(H,34,38);2-4,6-9,11-12,14-16,23-25,34-35H,5,10,13H2,1H3,(H2,30,36)(H,32,37);3-5,7-10,12-13,15-17,24-26,34-35H,6,11,14H2,1H3,(H,32,36);1-3,5-6,8-13,16,22-24,32-33H,4,7,14-15H2,(H2,28,34)(H,30,35);1-3,5-6,8-13,17,23-25,32-33H,4,7,14,16H2,(H,30,34);3-5,7-9,11-15,17-18,22-23,31,34H,6,10,16H2,1-2H3,(H,28,33);3-5,7-9,11-15,17-18,22-23,31,34H,6,10,16H2,1-2H3,(H,28,32);3-13,16,21,29,32H,14-15H2,1-2H3,(H,26,31)/t25?,26-,27-;18?,24-,26-,27-;16?,22-,24-,25-;16?,23-,24-,25-;17?,24-,25-,26-;22?,23-,24-;23?,24-,25-;2*18-,22?,23+,26-;16-,21+,24-/m1111111111/s1.
What are the key properties of (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[1-[5-(2-isocyanophenyl)-2-pyridinyl]ethyl]-4-oxobutanamide;2-[6-[1-[[(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanoyl]amino]ethyl]-3-pyridinyl]benzamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[1-[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[1-[5-(2-ethoxyphenyl)-2-pyridinyl]ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-(3-cyano-4-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-2-methyl-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-3-methyl-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;4-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]pyridine-3-carboxamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[[4-(3-pyridin-4-ylthiophen-2-yl)phenyl]methyl]butanamide?
(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[1-[5-(2-isocyanophenyl)-2-pyridinyl]ethyl]-4-oxobutanamide;2-[6-[1-[[(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanoyl]amino]ethyl]-3-pyridinyl]benzamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[1-[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[1-[5-(2-ethoxyphenyl)-2-pyridinyl]ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-(3-cyano-4-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-2-methyl-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-3-methyl-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;4-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]pyridine-3-carboxamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[[4-(3-pyridin-4-ylthiophen-2-yl)phenyl]methyl]butanamide has a molecular weight of 5018.36 g/mol, XLogP of 30.41, 75 rotatable bonds, 32 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[1-[5-(2-isocyanophenyl)-2-pyridinyl]ethyl]-4-oxobutanamide;2-[6-[1-[[(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanoyl]amino]ethyl]-3-pyridinyl]benzamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[1-[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[1-[5-(2-ethoxyphenyl)-2-pyridinyl]ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-(3-cyano-4-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-2-methyl-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-3-methyl-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;4-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]pyridine-3-carboxamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[[4-(3-pyridin-4-ylthiophen-2-yl)phenyl]methyl]butanamide is sourced from PubChem (CID 161175418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).