(2R,3R)-3-(1,3-benzothiazol-2-yl)-N-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methyl]-2,3-dihydroxypropanamide;(2R,3R)-3-(1,3-benzothiazol-2-yl)-N-[[5-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxypropanamide;(2R,3R)-3-(1,3-benzothiazol-2-yl)-2,3-dihydroxy-N-(2-thiophen-2-ylethyl)propanamide;(2R,3R)-N-[[5-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-3-(1,3-thiazol-2-yl)propanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[1-(2-ethoxy-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-[(2R)-2-methyl-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-[(2S)-2-methyl-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-4-(3,3-difluoropyrrolidin-1-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[[1-[4-fluoro-2-(2-methylpropoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-3-(1,3-thiazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide;(2R,3R)-4-(2-ethyl-2-phenylpyrrolidin-1-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyridin-4-ylphenyl)ethyl]butanamide

C245H275Cl4F9N34O42S11 — CID 159385197

IUPAC(2R,3R)-3-(1,3-benzothiazol-2-yl)-N-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methyl]-2,3-dihydroxypropanamide;(2R,3R)-3-(1,3-benzothiazol-2-yl)-N-[[5-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxypropanamide;(2R,3R)-3-(1,3-benzothiazol-2-yl)-2,3-dihydroxy-N-(2-thiophen-2-ylethyl)propanamide;(2R,3R)-N-[[5-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-3-(1,3-thiazol-2-yl)propanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[1-(2-ethoxy-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-[(2R)-2-methyl-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-[(2S)-2-methyl-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-4-(3,3-difluoropyrrolidin-1-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[[1-[4-fluoro-2-(2-methylpropoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-3-(1,3-thiazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide;(2R,3R)-4-(2-ethyl-2-phenylpyrrolidin-1-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyridin-4-ylphenyl)ethyl]butanamide
SMILESCC(C)COc1cc(F)ccc1N1CCC(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)CC1.CCC1(c2ccccc2)CCCN1C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1.CCOc1cc(F)ccc1N1CCC(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)CC1.C[C@@]1(c2nccs2)CCCN1C(=O)[C@H](O)[C@@H](O)C(=O)NCC1CCN(c2ccc(F)cc2C#N)CC1.C[C@]1(c2nccs2)CCCN1C(=O)[C@H](O)[C@@H](O)C(=O)NCC1CCN(c2ccc(F)cc2C#N)CC1.O=C(NCC1CCN(c2ccccc2OC(F)(F)F)CC1)[C@H](O)[C@@H](O)C(=O)N1CCC(F)(F)C1.O=C(NCCc1cccs1)[C@H](O)[C@@H](O)c1nc2ccccc2s1.O=C(NCCc1cccs1)[C@H](O)[C@@H](O)c1nccs1.O=C(NCc1ccc(Cc2ccccc2Cl)s1)[C@H](O)[C@@H](O)c1nc2ccccc2s1.O=C(NCc1ccc(Cc2ccccc2Cl)s1)[C@H](O)[C@@H](O)c1nccs1.O=C(NCc1ccn(Cc2ccccc2Cl)n1)[C@H](O)[C@@H](O)c1nc2ccccc2s1
InChIInChI=1S/C29H33N3O4.C28H35ClFN3O5.C28H36FN3O5.2C25H30FN5O4S.C22H19ClN2O3S2.C21H19ClN4O3S.C21H26F5N3O5.C18H17ClN2O3S2.C16H16N2O3S2.C12H14N2O3S2/c1-3-29(24-8-5-4-6-9-24)16-7-19-32(29)28(36)26(34)25(33)27(35)31-20(2)21-10-12-22(13-11-21)23-14-17-30-18-15-23;1-2-38-24-16-21(30)8-9-23(24)32-13-10-18(11-14-32)17-31-27(36)25(34)26(35)28(37)33-12-4-7-22(33)19-5-3-6-20(29)15-19;1-18(2)17-37-24-13-22(29)7-8-23(24)31-11-9-19(10-12-31)14-30-27(35)25(33)26(34)28(36)32-15-20-5-3-4-6-21(20)16-32;2*1-25(24-28-8-12-36-24)7-2-9-31(25)23(35)21(33)20(32)22(34)29-15-16-5-10-30(11-6-16)19-4-3-18(26)13-17(19)14-27;23-16-6-2-1-5-13(16)11-14-9-10-15(29-14)12-24-21(28)19(26)20(27)22-25-17-7-3-4-8-18(17)30-22;22-15-6-2-1-5-13(15)12-26-10-9-14(25-26)11-23-20(29)18(27)19(28)21-24-16-7-3-4-8-17(16)30-21;22-20(23)7-10-29(12-20)19(33)17(31)16(30)18(32)27-11-13-5-8-28(9-6-13)14-3-1-2-4-15(14)34-21(24,25)26;19-14-4-2-1-3-11(14)9-12-5-6-13(26-12)10-21-17(24)15(22)16(23)18-20-7-8-25-18;19-13(15(21)17-8-7-10-4-3-9-22-10)14(20)16-18-11-5-1-2-6-12(11)23-16;15-9(10(16)12-14-5-7-19-12)11(17)13-4-3-8-2-1-6-18-8/h4-6,8-15,17-18,20,25-26,33-34H,3,7,16,19H2,1-2H3,(H,31,35);3,5-6,8-9,15-16,18,22,25-26,34-35H,2,4,7,10-14,17H2,1H3,(H,31,36);3-8,13,18-19,25-26,33-34H,9-12,14-17H2,1-2H3,(H,30,35);2*3-4,8,12-13,16,20-21,32-33H,2,5-7,9-11,15H2,1H3,(H,29,34);1-10,19-20,26-27H,11-12H2,(H,24,28);1-10,18-19,27-28H,11-12H2,(H,23,29);1-4,13,16-17,30-31H,5-12H2,(H,27,32);1-8,15-16,22-23H,9-10H2,(H,21,24);1-6,9,13-14,19-20H,7-8H2,(H,17,21);1-2,5-7,9-10,15-16H,3-4H2,(H,13,17)/t20-,25-,26-,29?;22-,25-,26-;25-,26-;20-,21-,25+;20-,21-,25-;19-,20-;18-,19-;16-,17-;15-,16-;13-,14-;9-,10-/m11111111111/s1
InChIKeyLLKDHUBDQNDTPS-FILMKIFOSA-N
MW5033.62 g/mol
LogP27.77
Rot. Bonds80

About (2R,3R)-3-(1,3-benzothiazol-2-yl)-N-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methyl]-2,3-dihydroxypropanamide;(2R,3R)-3-(1,3-benzothiazol-2-yl)-N-[[5-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxypropanamide;(2R,3R)-3-(1,3-benzothiazol-2-yl)-2,3-dihydroxy-N-(2-thiophen-2-ylethyl)propanamide;(2R,3R)-N-[[5-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-3-(1,3-thiazol-2-yl)propanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[1-(2-ethoxy-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-[(2R)-2-methyl-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-[(2S)-2-methyl-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-4-(3,3-difluoropyrrolidin-1-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[[1-[4-fluoro-2-(2-methylpropoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-3-(1,3-thiazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide;(2R,3R)-4-(2-ethyl-2-phenylpyrrolidin-1-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyridin-4-ylphenyl)ethyl]butanamide

(2R,3R)-3-(1,3-benzothiazol-2-yl)-N-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methyl]-2,3-dihydroxypropanamide;(2R,3R)-3-(1,3-benzothiazol-2-yl)-N-[[5-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxypropanamide;(2R,3R)-3-(1,3-benzothiazol-2-yl)-2,3-dihydroxy-N-(2-thiophen-2-ylethyl)propanamide;(2R,3R)-N-[[5-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-3-(1,3-thiazol-2-yl)propanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[1-(2-ethoxy-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-[(2R)-2-methyl-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-[(2S)-2-methyl-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-4-(3,3-difluoropyrrolidin-1-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[[1-[4-fluoro-2-(2-methylpropoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-3-(1,3-thiazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide;(2R,3R)-4-(2-ethyl-2-phenylpyrrolidin-1-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyridin-4-ylphenyl)ethyl]butanamide (PubChem CID 159385197) has the molecular formula C245H275Cl4F9N34O42S11 and a molecular weight of 5033.62 g/mol. Its IUPAC name is (2R,3R)-3-(1,3-benzothiazol-2-yl)-N-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methyl]-2,3-dihydroxypropanamide;(2R,3R)-3-(1,3-benzothiazol-2-yl)-N-[[5-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxypropanamide;(2R,3R)-3-(1,3-benzothiazol-2-yl)-2,3-dihydroxy-N-(2-thiophen-2-ylethyl)propanamide;(2R,3R)-N-[[5-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-3-(1,3-thiazol-2-yl)propanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[1-(2-ethoxy-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-[(2R)-2-methyl-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-[(2S)-2-methyl-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-4-(3,3-difluoropyrrolidin-1-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[[1-[4-fluoro-2-(2-methylpropoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-3-(1,3-thiazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide;(2R,3R)-4-(2-ethyl-2-phenylpyrrolidin-1-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyridin-4-ylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name(2R,3R)-3-(1,3-benzothiazol-2-yl)-N-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methyl]-2,3-dihydroxypropanamide;(2R,3R)-3-(1,3-benzothiazol-2-yl)-N-[[5-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxypropanamide;(2R,3R)-3-(1,3-benzothiazol-2-yl)-2,3-dihydroxy-N-(2-thiophen-2-ylethyl)propanamide;(2R,3R)-N-[[5-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-3-(1,3-thiazol-2-yl)propanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[1-(2-ethoxy-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-[(2R)-2-methyl-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-[(2S)-2-methyl-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-4-(3,3-difluoropyrrolidin-1-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[[1-[4-fluoro-2-(2-methylpropoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-3-(1,3-thiazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide;(2R,3R)-4-(2-ethyl-2-phenylpyrrolidin-1-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyridin-4-ylphenyl)ethyl]butanamide
PubChem CID159385197
Molecular FormulaC245H275Cl4F9N34O42S11
Molecular Weight5033.62 g/mol
Exact Mass5027.60
IUPAC Name(2R,3R)-3-(1,3-benzothiazol-2-yl)-N-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methyl]-2,3-dihydroxypropanamide;(2R,3R)-3-(1,3-benzothiazol-2-yl)-N-[[5-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxypropanamide;(2R,3R)-3-(1,3-benzothiazol-2-yl)-2,3-dihydroxy-N-(2-thiophen-2-ylethyl)propanamide;(2R,3R)-N-[[5-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-3-(1,3-thiazol-2-yl)propanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[1-(2-ethoxy-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-[(2R)-2-methyl-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-[(2S)-2-methyl-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-4-(3,3-difluoropyrrolidin-1-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[[1-[4-fluoro-2-(2-methylpropoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-3-(1,3-thiazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide;(2R,3R)-4-(2-ethyl-2-phenylpyrrolidin-1-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyridin-4-ylphenyl)ethyl]butanamide
SMILESCC(C)COc1cc(F)ccc1N1CCC(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)CC1.CCC1(c2ccccc2)CCCN1C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1.CCOc1cc(F)ccc1N1CCC(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)CC1.C[C@@]1(c2nccs2)CCCN1C(=O)[C@H](O)[C@@H](O)C(=O)NCC1CCN(c2ccc(F)cc2C#N)CC1.C[C@]1(c2nccs2)CCCN1C(=O)[C@H](O)[C@@H](O)C(=O)NCC1CCN(c2ccc(F)cc2C#N)CC1.O=C(NCC1CCN(c2ccccc2OC(F)(F)F)CC1)[C@H](O)[C@@H](O)C(=O)N1CCC(F)(F)C1.O=C(NCCc1cccs1)[C@H](O)[C@@H](O)c1nc2ccccc2s1.O=C(NCCc1cccs1)[C@H](O)[C@@H](O)c1nccs1.O=C(NCc1ccc(Cc2ccccc2Cl)s1)[C@H](O)[C@@H](O)c1nc2ccccc2s1.O=C(NCc1ccc(Cc2ccccc2Cl)s1)[C@H](O)[C@@H](O)c1nccs1.O=C(NCc1ccn(Cc2ccccc2Cl)n1)[C@H](O)[C@@H](O)c1nc2ccccc2s1
InChIInChI=1S/C29H33N3O4.C28H35ClFN3O5.C28H36FN3O5.2C25H30FN5O4S.C22H19ClN2O3S2.C21H19ClN4O3S.C21H26F5N3O5.C18H17ClN2O3S2.C16H16N2O3S2.C12H14N2O3S2/c1-3-29(24-8-5-4-6-9-24)16-7-19-32(29)28(36)26(34)25(33)27(35)31-20(2)21-10-12-22(13-11-21)23-14-17-30-18-15-23;1-2-38-24-16-21(30)8-9-23(24)32-13-10-18(11-14-32)17-31-27(36)25(34)26(35)28(37)33-12-4-7-22(33)19-5-3-6-20(29)15-19;1-18(2)17-37-24-13-22(29)7-8-23(24)31-11-9-19(10-12-31)14-30-27(35)25(33)26(34)28(36)32-15-20-5-3-4-6-21(20)16-32;2*1-25(24-28-8-12-36-24)7-2-9-31(25)23(35)21(33)20(32)22(34)29-15-16-5-10-30(11-6-16)19-4-3-18(26)13-17(19)14-27;23-16-6-2-1-5-13(16)11-14-9-10-15(29-14)12-24-21(28)19(26)20(27)22-25-17-7-3-4-8-18(17)30-22;22-15-6-2-1-5-13(15)12-26-10-9-14(25-26)11-23-20(29)18(27)19(28)21-24-16-7-3-4-8-17(16)30-21;22-20(23)7-10-29(12-20)19(33)17(31)16(30)18(32)27-11-13-5-8-28(9-6-13)14-3-1-2-4-15(14)34-21(24,25)26;19-14-4-2-1-3-11(14)9-12-5-6-13(26-12)10-21-17(24)15(22)16(23)18-20-7-8-25-18;19-13(15(21)17-8-7-10-4-3-9-22-10)14(20)16-18-11-5-1-2-6-12(11)23-16;15-9(10(16)12-14-5-7-19-12)11(17)13-4-3-8-2-1-6-18-8/h4-6,8-15,17-18,20,25-26,33-34H,3,7,16,19H2,1-2H3,(H,31,35);3,5-6,8-9,15-16,18,22,25-26,34-35H,2,4,7,10-14,17H2,1H3,(H,31,36);3-8,13,18-19,25-26,33-34H,9-12,14-17H2,1-2H3,(H,30,35);2*3-4,8,12-13,16,20-21,32-33H,2,5-7,9-11,15H2,1H3,(H,29,34);1-10,19-20,26-27H,11-12H2,(H,24,28);1-10,18-19,27-28H,11-12H2,(H,23,29);1-4,13,16-17,30-31H,5-12H2,(H,27,32);1-8,15-16,22-23H,9-10H2,(H,21,24);1-6,9,13-14,19-20H,7-8H2,(H,17,21);1-2,5-7,9-10,15-16H,3-4H2,(H,13,17)/t20-,25-,26-,29?;22-,25-,26-;25-,26-;20-,21-,25+;20-,21-,25-;19-,20-;18-,19-;16-,17-;15-,16-;13-,14-;9-,10-/m11111111111/s1
InChIKeyLLKDHUBDQNDTPS-FILMKIFOSA-N
XLogP27.77
TPSA1099.43 Ų
H-Bond Donors33
H-Bond Acceptors70
Rotatable Bonds80
Heavy Atoms345
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005033.62
LogP ≤ 527.77
H-Bond Donors ≤ 533
H-Bond Acceptors ≤ 1070

Analyze (2R,3R)-3-(1,3-benzothiazol-2-yl)-N-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methyl]-2,3-dihydroxypropanamide;(2R,3R)-3-(1,3-benzothiazol-2-yl)-N-[[5-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxypropanamide;(2R,3R)-3-(1,3-benzothiazol-2-yl)-2,3-dihydroxy-N-(2-thiophen-2-ylethyl)propanamide;(2R,3R)-N-[[5-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-3-(1,3-thiazol-2-yl)propanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[1-(2-ethoxy-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-[(2R)-2-methyl-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-[(2S)-2-methyl-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-4-(3,3-difluoropyrrolidin-1-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[[1-[4-fluoro-2-(2-methylpropoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-3-(1,3-thiazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide;(2R,3R)-4-(2-ethyl-2-phenylpyrrolidin-1-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyridin-4-ylphenyl)ethyl]butanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(1,3-benzothiazol-2-yl)-N-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methyl]-2,3-dihydroxypropanamide;(2R,3R)-3-(1,3-benzothiazol-2-yl)-N-[[5-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxypropanamide;(2R,3R)-3-(1,3-benzothiazol-2-yl)-2,3-dihydroxy-N-(2-thiophen-2-ylethyl)propanamide;(2R,3R)-N-[[5-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-3-(1,3-thiazol-2-yl)propanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[1-(2-ethoxy-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-[(2R)-2-methyl-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-[(2S)-2-methyl-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-4-(3,3-difluoropyrrolidin-1-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[[1-[4-fluoro-2-(2-methylpropoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-3-(1,3-thiazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide;(2R,3R)-4-(2-ethyl-2-phenylpyrrolidin-1-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyridin-4-ylphenyl)ethyl]butanamide?
The IUPAC name of (2R,3R)-3-(1,3-benzothiazol-2-yl)-N-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methyl]-2,3-dihydroxypropanamide;(2R,3R)-3-(1,3-benzothiazol-2-yl)-N-[[5-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxypropanamide;(2R,3R)-3-(1,3-benzothiazol-2-yl)-2,3-dihydroxy-N-(2-thiophen-2-ylethyl)propanamide;(2R,3R)-N-[[5-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-3-(1,3-thiazol-2-yl)propanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[1-(2-ethoxy-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-[(2R)-2-methyl-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-[(2S)-2-methyl-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-4-(3,3-difluoropyrrolidin-1-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[[1-[4-fluoro-2-(2-methylpropoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-3-(1,3-thiazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide;(2R,3R)-4-(2-ethyl-2-phenylpyrrolidin-1-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyridin-4-ylphenyl)ethyl]butanamide (CID 159385197) is (2R,3R)-3-(1,3-benzothiazol-2-yl)-N-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methyl]-2,3-dihydroxypropanamide;(2R,3R)-3-(1,3-benzothiazol-2-yl)-N-[[5-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxypropanamide;(2R,3R)-3-(1,3-benzothiazol-2-yl)-2,3-dihydroxy-N-(2-thiophen-2-ylethyl)propanamide;(2R,3R)-N-[[5-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-3-(1,3-thiazol-2-yl)propanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[1-(2-ethoxy-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-[(2R)-2-methyl-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-[(2S)-2-methyl-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-4-(3,3-difluoropyrrolidin-1-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[[1-[4-fluoro-2-(2-methylpropoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-3-(1,3-thiazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide;(2R,3R)-4-(2-ethyl-2-phenylpyrrolidin-1-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyridin-4-ylphenyl)ethyl]butanamide.
What is the SMILES notation for (2R,3R)-3-(1,3-benzothiazol-2-yl)-N-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methyl]-2,3-dihydroxypropanamide;(2R,3R)-3-(1,3-benzothiazol-2-yl)-N-[[5-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxypropanamide;(2R,3R)-3-(1,3-benzothiazol-2-yl)-2,3-dihydroxy-N-(2-thiophen-2-ylethyl)propanamide;(2R,3R)-N-[[5-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-3-(1,3-thiazol-2-yl)propanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[1-(2-ethoxy-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-[(2R)-2-methyl-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-[(2S)-2-methyl-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-4-(3,3-difluoropyrrolidin-1-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[[1-[4-fluoro-2-(2-methylpropoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-3-(1,3-thiazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide;(2R,3R)-4-(2-ethyl-2-phenylpyrrolidin-1-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyridin-4-ylphenyl)ethyl]butanamide?
The canonical SMILES for (2R,3R)-3-(1,3-benzothiazol-2-yl)-N-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methyl]-2,3-dihydroxypropanamide;(2R,3R)-3-(1,3-benzothiazol-2-yl)-N-[[5-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxypropanamide;(2R,3R)-3-(1,3-benzothiazol-2-yl)-2,3-dihydroxy-N-(2-thiophen-2-ylethyl)propanamide;(2R,3R)-N-[[5-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-3-(1,3-thiazol-2-yl)propanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[1-(2-ethoxy-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-[(2R)-2-methyl-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-[(2S)-2-methyl-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-4-(3,3-difluoropyrrolidin-1-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[[1-[4-fluoro-2-(2-methylpropoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-3-(1,3-thiazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide;(2R,3R)-4-(2-ethyl-2-phenylpyrrolidin-1-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyridin-4-ylphenyl)ethyl]butanamide is CC(C)COc1cc(F)ccc1N1CCC(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)CC1.CCC1(c2ccccc2)CCCN1C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1.CCOc1cc(F)ccc1N1CCC(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)CC1.C[C@@]1(c2nccs2)CCCN1C(=O)[C@H](O)[C@@H](O)C(=O)NCC1CCN(c2ccc(F)cc2C#N)CC1.C[C@]1(c2nccs2)CCCN1C(=O)[C@H](O)[C@@H](O)C(=O)NCC1CCN(c2ccc(F)cc2C#N)CC1.O=C(NCC1CCN(c2ccccc2OC(F)(F)F)CC1)[C@H](O)[C@@H](O)C(=O)N1CCC(F)(F)C1.O=C(NCCc1cccs1)[C@H](O)[C@@H](O)c1nc2ccccc2s1.O=C(NCCc1cccs1)[C@H](O)[C@@H](O)c1nccs1.O=C(NCc1ccc(Cc2ccccc2Cl)s1)[C@H](O)[C@@H](O)c1nc2ccccc2s1.O=C(NCc1ccc(Cc2ccccc2Cl)s1)[C@H](O)[C@@H](O)c1nccs1.O=C(NCc1ccn(Cc2ccccc2Cl)n1)[C@H](O)[C@@H](O)c1nc2ccccc2s1.
What is the InChIKey of (2R,3R)-3-(1,3-benzothiazol-2-yl)-N-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methyl]-2,3-dihydroxypropanamide;(2R,3R)-3-(1,3-benzothiazol-2-yl)-N-[[5-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxypropanamide;(2R,3R)-3-(1,3-benzothiazol-2-yl)-2,3-dihydroxy-N-(2-thiophen-2-ylethyl)propanamide;(2R,3R)-N-[[5-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-3-(1,3-thiazol-2-yl)propanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[1-(2-ethoxy-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-[(2R)-2-methyl-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-[(2S)-2-methyl-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-4-(3,3-difluoropyrrolidin-1-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[[1-[4-fluoro-2-(2-methylpropoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-3-(1,3-thiazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide;(2R,3R)-4-(2-ethyl-2-phenylpyrrolidin-1-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyridin-4-ylphenyl)ethyl]butanamide?
The InChIKey is LLKDHUBDQNDTPS-FILMKIFOSA-N. The full InChI is InChI=1S/C29H33N3O4.C28H35ClFN3O5.C28H36FN3O5.2C25H30FN5O4S.C22H19ClN2O3S2.C21H19ClN4O3S.C21H26F5N3O5.C18H17ClN2O3S2.C16H16N2O3S2.C12H14N2O3S2/c1-3-29(24-8-5-4-6-9-24)16-7-19-32(29)28(36)26(34)25(33)27(35)31-20(2)21-10-12-22(13-11-21)23-14-17-30-18-15-23;1-2-38-24-16-21(30)8-9-23(24)32-13-10-18(11-14-32)17-31-27(36)25(34)26(35)28(37)33-12-4-7-22(33)19-5-3-6-20(29)15-19;1-18(2)17-37-24-13-22(29)7-8-23(24)31-11-9-19(10-12-31)14-30-27(35)25(33)26(34)28(36)32-15-20-5-3-4-6-21(20)16-32;2*1-25(24-28-8-12-36-24)7-2-9-31(25)23(35)21(33)20(32)22(34)29-15-16-5-10-30(11-6-16)19-4-3-18(26)13-17(19)14-27;23-16-6-2-1-5-13(16)11-14-9-10-15(29-14)12-24-21(28)19(26)20(27)22-25-17-7-3-4-8-18(17)30-22;22-15-6-2-1-5-13(15)12-26-10-9-14(25-26)11-23-20(29)18(27)19(28)21-24-16-7-3-4-8-17(16)30-21;22-20(23)7-10-29(12-20)19(33)17(31)16(30)18(32)27-11-13-5-8-28(9-6-13)14-3-1-2-4-15(14)34-21(24,25)26;19-14-4-2-1-3-11(14)9-12-5-6-13(26-12)10-21-17(24)15(22)16(23)18-20-7-8-25-18;19-13(15(21)17-8-7-10-4-3-9-22-10)14(20)16-18-11-5-1-2-6-12(11)23-16;15-9(10(16)12-14-5-7-19-12)11(17)13-4-3-8-2-1-6-18-8/h4-6,8-15,17-18,20,25-26,33-34H,3,7,16,19H2,1-2H3,(H,31,35);3,5-6,8-9,15-16,18,22,25-26,34-35H,2,4,7,10-14,17H2,1H3,(H,31,36);3-8,13,18-19,25-26,33-34H,9-12,14-17H2,1-2H3,(H,30,35);2*3-4,8,12-13,16,20-21,32-33H,2,5-7,9-11,15H2,1H3,(H,29,34);1-10,19-20,26-27H,11-12H2,(H,24,28);1-10,18-19,27-28H,11-12H2,(H,23,29);1-4,13,16-17,30-31H,5-12H2,(H,27,32);1-8,15-16,22-23H,9-10H2,(H,21,24);1-6,9,13-14,19-20H,7-8H2,(H,17,21);1-2,5-7,9-10,15-16H,3-4H2,(H,13,17)/t20-,25-,26-,29?;22-,25-,26-;25-,26-;20-,21-,25+;20-,21-,25-;19-,20-;18-,19-;16-,17-;15-,16-;13-,14-;9-,10-/m11111111111/s1.
What are the key properties of (2R,3R)-3-(1,3-benzothiazol-2-yl)-N-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methyl]-2,3-dihydroxypropanamide;(2R,3R)-3-(1,3-benzothiazol-2-yl)-N-[[5-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxypropanamide;(2R,3R)-3-(1,3-benzothiazol-2-yl)-2,3-dihydroxy-N-(2-thiophen-2-ylethyl)propanamide;(2R,3R)-N-[[5-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-3-(1,3-thiazol-2-yl)propanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[1-(2-ethoxy-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-[(2R)-2-methyl-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-[(2S)-2-methyl-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-4-(3,3-difluoropyrrolidin-1-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[[1-[4-fluoro-2-(2-methylpropoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-3-(1,3-thiazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide;(2R,3R)-4-(2-ethyl-2-phenylpyrrolidin-1-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyridin-4-ylphenyl)ethyl]butanamide?
(2R,3R)-3-(1,3-benzothiazol-2-yl)-N-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methyl]-2,3-dihydroxypropanamide;(2R,3R)-3-(1,3-benzothiazol-2-yl)-N-[[5-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxypropanamide;(2R,3R)-3-(1,3-benzothiazol-2-yl)-2,3-dihydroxy-N-(2-thiophen-2-ylethyl)propanamide;(2R,3R)-N-[[5-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-3-(1,3-thiazol-2-yl)propanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[1-(2-ethoxy-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-[(2R)-2-methyl-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-[(2S)-2-methyl-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-4-(3,3-difluoropyrrolidin-1-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[[1-[4-fluoro-2-(2-methylpropoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-3-(1,3-thiazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide;(2R,3R)-4-(2-ethyl-2-phenylpyrrolidin-1-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyridin-4-ylphenyl)ethyl]butanamide has a molecular weight of 5033.62 g/mol, XLogP of 27.77, 80 rotatable bonds, 33 hydrogen bond donors, and 70 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(1,3-benzothiazol-2-yl)-N-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methyl]-2,3-dihydroxypropanamide;(2R,3R)-3-(1,3-benzothiazol-2-yl)-N-[[5-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxypropanamide;(2R,3R)-3-(1,3-benzothiazol-2-yl)-2,3-dihydroxy-N-(2-thiophen-2-ylethyl)propanamide;(2R,3R)-N-[[5-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-3-(1,3-thiazol-2-yl)propanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[1-(2-ethoxy-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-[(2R)-2-methyl-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-[(2S)-2-methyl-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-4-(3,3-difluoropyrrolidin-1-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[[1-[4-fluoro-2-(2-methylpropoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-3-(1,3-thiazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide;(2R,3R)-4-(2-ethyl-2-phenylpyrrolidin-1-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyridin-4-ylphenyl)ethyl]butanamide is sourced from PubChem (CID 159385197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).