(2R,3R)-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-(2-methoxyphenyl)-2-pyridinyl]methyl]-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[5-(2-phenylmethoxyphenyl)-2-pyridinyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[5-(2-propan-2-yloxyphenyl)-2-pyridinyl]methyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(5-pyridin-4-yl-2-pyridinyl)methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[5-(2-ethoxyphenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-4-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide

C290H287Cl7FN39O48S2 — CID 159499357

IUPAC(2R,3R)-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-(2-methoxyphenyl)-2-pyridinyl]methyl]-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[5-(2-phenylmethoxyphenyl)-2-pyridinyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[5-(2-propan-2-yloxyphenyl)-2-pyridinyl]methyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(5-pyridin-4-yl-2-pyridinyl)methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[5-(2-ethoxyphenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-4-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide
SMILESCC(C)Oc1ccccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)nc1.CCOc1ccccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)nc1.COc1ccccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)nc1.N#Cc1ccccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2)nc1.N#Cc1ccccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2ccc(F)cc2)nc1.N#Cc1ccccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)nc1.N#Cc1ccccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2nccs2)nc1.N#Cc1ccccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)nc1.O=C(NCc1cc(Cc2ccccc2Cl)cs1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.O=C(NCc1ccc(-c2ccccc2OCc2ccccc2)cn1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1.O=C(NCc1ccc(-c2ccncc2)cn1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1
InChIInChI=1S/C33H32ClN3O5.C29H32ClN3O5.C28H30ClN3O5.C27H25ClN4O4.C27H28ClN3O5.C27H25FN4O4.C25H25ClN4O4.C25H22N4O4.C24H23ClN2O4S.C24H23N5O4S.C21H22N4O4/c34-25-11-6-10-23(18-25)28-13-7-17-37(28)33(41)31(39)30(38)32(40)36-20-26-16-15-24(19-35-26)27-12-4-5-14-29(27)42-21-22-8-2-1-3-9-22;1-18(2)38-25-11-4-3-9-23(25)20-12-13-22(31-16-20)17-32-28(36)26(34)27(35)29(37)33-14-6-10-24(33)19-7-5-8-21(30)15-19;1-2-37-24-11-4-3-9-22(24)19-12-13-21(30-16-19)17-31-27(35)25(33)26(34)28(36)32-14-6-10-23(32)18-7-5-8-20(29)15-18;28-20-7-3-6-17(13-20)23-9-4-12-32(23)27(36)25(34)24(33)26(35)31-16-21-11-10-19(15-30-21)22-8-2-1-5-18(22)14-29;1-36-23-10-3-2-8-21(23)18-11-12-20(29-15-18)16-30-26(34)24(32)25(33)27(35)31-13-5-9-22(31)17-6-4-7-19(28)14-17;28-20-10-7-17(8-11-20)23-6-3-13-32(23)27(36)25(34)24(33)26(35)31-16-21-12-9-19(15-30-21)22-5-2-1-4-18(22)14-29;26-19-4-1-3-17(13-19)21-5-2-12-30(21)25(34)23(32)22(31)24(33)29-15-20-7-6-18(14-28-20)16-8-10-27-11-9-16;26-11-16-5-3-4-8-21(16)17-9-10-20(27-12-17)13-28-24(32)22(30)23(31)25(33)29-14-18-6-1-2-7-19(18)15-29;25-20-8-4-3-5-16(20)9-15-10-19(32-14-15)11-26-23(30)21(28)22(29)24(31)27-12-17-6-1-2-7-18(17)13-27;25-12-15-4-1-2-5-18(15)16-7-8-17(27-13-16)14-28-22(32)20(30)21(31)24(33)29-10-3-6-19(29)23-26-9-11-34-23;22-11-14-5-1-2-6-17(14)15-7-8-16(23-12-15)13-24-20(28)18(26)19(27)21(29)25-9-3-4-10-25/h1-6,8-12,14-16,18-19,28,30-31,38-39H,7,13,17,20-21H2,(H,36,40);3-5,7-9,11-13,15-16,18,24,26-27,34-35H,6,10,14,17H2,1-2H3,(H,32,36);3-5,7-9,11-13,15-16,23,25-26,33-34H,2,6,10,14,17H2,1H3,(H,31,35);1-3,5-8,10-11,13,15,23-25,33-34H,4,9,12,16H2,(H,31,35);2-4,6-8,10-12,14-15,22,24-25,32-33H,5,9,13,16H2,1H3,(H,30,34);1-2,4-5,7-12,15,23-25,33-34H,3,6,13,16H2,(H,31,35);1,3-4,6-11,13-14,21-23,31-32H,2,5,12,15H2,(H,29,33);1-10,12,22-23,30-31H,13-15H2,(H,28,32);1-8,10,14,21-22,28-29H,9,11-13H2,(H,26,30);1-2,4-5,7-9,11,13,19-21,30-31H,3,6,10,14H2,(H,28,32);1-2,5-8,12,18-19,26-27H,3-4,9-10,13H2,(H,24,28)/t28-,30-,31-;24-,26-,27-;23-,25-,26-;23-,24-,25-;22-,24-,25-;23-,24-,25-;21?,22-,23-;22-,23-;21-,22-;19-,20-,21-;18-,19-/m11111111111/s1
InChIKeyLZEMTXWSRVNXQO-QGYZCNJKSA-N
MW5418.01 g/mol
LogP29.86
Rot. Bonds83

About (2R,3R)-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-(2-methoxyphenyl)-2-pyridinyl]methyl]-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[5-(2-phenylmethoxyphenyl)-2-pyridinyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[5-(2-propan-2-yloxyphenyl)-2-pyridinyl]methyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(5-pyridin-4-yl-2-pyridinyl)methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[5-(2-ethoxyphenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-4-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide

(2R,3R)-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-(2-methoxyphenyl)-2-pyridinyl]methyl]-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[5-(2-phenylmethoxyphenyl)-2-pyridinyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[5-(2-propan-2-yloxyphenyl)-2-pyridinyl]methyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(5-pyridin-4-yl-2-pyridinyl)methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[5-(2-ethoxyphenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-4-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide (PubChem CID 159499357) has the molecular formula C290H287Cl7FN39O48S2 and a molecular weight of 5418.01 g/mol. Its IUPAC name is (2R,3R)-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-(2-methoxyphenyl)-2-pyridinyl]methyl]-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[5-(2-phenylmethoxyphenyl)-2-pyridinyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[5-(2-propan-2-yloxyphenyl)-2-pyridinyl]methyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(5-pyridin-4-yl-2-pyridinyl)methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[5-(2-ethoxyphenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-4-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide.

Molecular Properties

Compound Name(2R,3R)-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-(2-methoxyphenyl)-2-pyridinyl]methyl]-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[5-(2-phenylmethoxyphenyl)-2-pyridinyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[5-(2-propan-2-yloxyphenyl)-2-pyridinyl]methyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(5-pyridin-4-yl-2-pyridinyl)methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[5-(2-ethoxyphenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-4-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide
PubChem CID159499357
Molecular FormulaC290H287Cl7FN39O48S2
Molecular Weight5418.01 g/mol
Exact Mass5410.85
IUPAC Name(2R,3R)-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-(2-methoxyphenyl)-2-pyridinyl]methyl]-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[5-(2-phenylmethoxyphenyl)-2-pyridinyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[5-(2-propan-2-yloxyphenyl)-2-pyridinyl]methyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(5-pyridin-4-yl-2-pyridinyl)methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[5-(2-ethoxyphenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-4-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide
SMILESCC(C)Oc1ccccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)nc1.CCOc1ccccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)nc1.COc1ccccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)nc1.N#Cc1ccccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2)nc1.N#Cc1ccccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2ccc(F)cc2)nc1.N#Cc1ccccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)nc1.N#Cc1ccccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2nccs2)nc1.N#Cc1ccccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)nc1.O=C(NCc1cc(Cc2ccccc2Cl)cs1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.O=C(NCc1ccc(-c2ccccc2OCc2ccccc2)cn1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1.O=C(NCc1ccc(-c2ccncc2)cn1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1
InChIInChI=1S/C33H32ClN3O5.C29H32ClN3O5.C28H30ClN3O5.C27H25ClN4O4.C27H28ClN3O5.C27H25FN4O4.C25H25ClN4O4.C25H22N4O4.C24H23ClN2O4S.C24H23N5O4S.C21H22N4O4/c34-25-11-6-10-23(18-25)28-13-7-17-37(28)33(41)31(39)30(38)32(40)36-20-26-16-15-24(19-35-26)27-12-4-5-14-29(27)42-21-22-8-2-1-3-9-22;1-18(2)38-25-11-4-3-9-23(25)20-12-13-22(31-16-20)17-32-28(36)26(34)27(35)29(37)33-14-6-10-24(33)19-7-5-8-21(30)15-19;1-2-37-24-11-4-3-9-22(24)19-12-13-21(30-16-19)17-31-27(35)25(33)26(34)28(36)32-14-6-10-23(32)18-7-5-8-20(29)15-18;28-20-7-3-6-17(13-20)23-9-4-12-32(23)27(36)25(34)24(33)26(35)31-16-21-11-10-19(15-30-21)22-8-2-1-5-18(22)14-29;1-36-23-10-3-2-8-21(23)18-11-12-20(29-15-18)16-30-26(34)24(32)25(33)27(35)31-13-5-9-22(31)17-6-4-7-19(28)14-17;28-20-10-7-17(8-11-20)23-6-3-13-32(23)27(36)25(34)24(33)26(35)31-16-21-12-9-19(15-30-21)22-5-2-1-4-18(22)14-29;26-19-4-1-3-17(13-19)21-5-2-12-30(21)25(34)23(32)22(31)24(33)29-15-20-7-6-18(14-28-20)16-8-10-27-11-9-16;26-11-16-5-3-4-8-21(16)17-9-10-20(27-12-17)13-28-24(32)22(30)23(31)25(33)29-14-18-6-1-2-7-19(18)15-29;25-20-8-4-3-5-16(20)9-15-10-19(32-14-15)11-26-23(30)21(28)22(29)24(31)27-12-17-6-1-2-7-18(17)13-27;25-12-15-4-1-2-5-18(15)16-7-8-17(27-13-16)14-28-22(32)20(30)21(31)24(33)29-10-3-6-19(29)23-26-9-11-34-23;22-11-14-5-1-2-6-17(14)15-7-8-16(23-12-15)13-24-20(28)18(26)19(27)21(29)25-9-3-4-10-25/h1-6,8-12,14-16,18-19,28,30-31,38-39H,7,13,17,20-21H2,(H,36,40);3-5,7-9,11-13,15-16,18,24,26-27,34-35H,6,10,14,17H2,1-2H3,(H,32,36);3-5,7-9,11-13,15-16,23,25-26,33-34H,2,6,10,14,17H2,1H3,(H,31,35);1-3,5-8,10-11,13,15,23-25,33-34H,4,9,12,16H2,(H,31,35);2-4,6-8,10-12,14-15,22,24-25,32-33H,5,9,13,16H2,1H3,(H,30,34);1-2,4-5,7-12,15,23-25,33-34H,3,6,13,16H2,(H,31,35);1,3-4,6-11,13-14,21-23,31-32H,2,5,12,15H2,(H,29,33);1-10,12,22-23,30-31H,13-15H2,(H,28,32);1-8,10,14,21-22,28-29H,9,11-13H2,(H,26,30);1-2,4-5,7-9,11,13,19-21,30-31H,3,6,10,14H2,(H,28,32);1-2,5-8,12,18-19,26-27H,3-4,9-10,13H2,(H,24,28)/t28-,30-,31-;24-,26-,27-;23-,25-,26-;23-,24-,25-;22-,24-,25-;23-,24-,25-;21?,22-,23-;22-,23-;21-,22-;19-,20-,21-;18-,19-/m11111111111/s1
InChIKeyLZEMTXWSRVNXQO-QGYZCNJKSA-N
XLogP29.86
TPSA1299.12 Ų
H-Bond Donors33
H-Bond Acceptors67
Rotatable Bonds83
Heavy Atoms387
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005418.01
LogP ≤ 529.86
H-Bond Donors ≤ 533
H-Bond Acceptors ≤ 1067

Analyze (2R,3R)-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-(2-methoxyphenyl)-2-pyridinyl]methyl]-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[5-(2-phenylmethoxyphenyl)-2-pyridinyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[5-(2-propan-2-yloxyphenyl)-2-pyridinyl]methyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(5-pyridin-4-yl-2-pyridinyl)methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[5-(2-ethoxyphenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-4-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-(2-methoxyphenyl)-2-pyridinyl]methyl]-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[5-(2-phenylmethoxyphenyl)-2-pyridinyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[5-(2-propan-2-yloxyphenyl)-2-pyridinyl]methyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(5-pyridin-4-yl-2-pyridinyl)methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[5-(2-ethoxyphenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-4-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide?
The IUPAC name of (2R,3R)-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-(2-methoxyphenyl)-2-pyridinyl]methyl]-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[5-(2-phenylmethoxyphenyl)-2-pyridinyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[5-(2-propan-2-yloxyphenyl)-2-pyridinyl]methyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(5-pyridin-4-yl-2-pyridinyl)methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[5-(2-ethoxyphenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-4-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide (CID 159499357) is (2R,3R)-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-(2-methoxyphenyl)-2-pyridinyl]methyl]-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[5-(2-phenylmethoxyphenyl)-2-pyridinyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[5-(2-propan-2-yloxyphenyl)-2-pyridinyl]methyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(5-pyridin-4-yl-2-pyridinyl)methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[5-(2-ethoxyphenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-4-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide.
What is the SMILES notation for (2R,3R)-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-(2-methoxyphenyl)-2-pyridinyl]methyl]-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[5-(2-phenylmethoxyphenyl)-2-pyridinyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[5-(2-propan-2-yloxyphenyl)-2-pyridinyl]methyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(5-pyridin-4-yl-2-pyridinyl)methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[5-(2-ethoxyphenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-4-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide?
The canonical SMILES for (2R,3R)-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-(2-methoxyphenyl)-2-pyridinyl]methyl]-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[5-(2-phenylmethoxyphenyl)-2-pyridinyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[5-(2-propan-2-yloxyphenyl)-2-pyridinyl]methyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(5-pyridin-4-yl-2-pyridinyl)methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[5-(2-ethoxyphenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-4-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide is CC(C)Oc1ccccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)nc1.CCOc1ccccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)nc1.COc1ccccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)nc1.N#Cc1ccccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2)nc1.N#Cc1ccccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2ccc(F)cc2)nc1.N#Cc1ccccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)nc1.N#Cc1ccccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2nccs2)nc1.N#Cc1ccccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)nc1.O=C(NCc1cc(Cc2ccccc2Cl)cs1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.O=C(NCc1ccc(-c2ccccc2OCc2ccccc2)cn1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1.O=C(NCc1ccc(-c2ccncc2)cn1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1.
What is the InChIKey of (2R,3R)-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-(2-methoxyphenyl)-2-pyridinyl]methyl]-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[5-(2-phenylmethoxyphenyl)-2-pyridinyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[5-(2-propan-2-yloxyphenyl)-2-pyridinyl]methyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(5-pyridin-4-yl-2-pyridinyl)methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[5-(2-ethoxyphenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-4-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide?
The InChIKey is LZEMTXWSRVNXQO-QGYZCNJKSA-N. The full InChI is InChI=1S/C33H32ClN3O5.C29H32ClN3O5.C28H30ClN3O5.C27H25ClN4O4.C27H28ClN3O5.C27H25FN4O4.C25H25ClN4O4.C25H22N4O4.C24H23ClN2O4S.C24H23N5O4S.C21H22N4O4/c34-25-11-6-10-23(18-25)28-13-7-17-37(28)33(41)31(39)30(38)32(40)36-20-26-16-15-24(19-35-26)27-12-4-5-14-29(27)42-21-22-8-2-1-3-9-22;1-18(2)38-25-11-4-3-9-23(25)20-12-13-22(31-16-20)17-32-28(36)26(34)27(35)29(37)33-14-6-10-24(33)19-7-5-8-21(30)15-19;1-2-37-24-11-4-3-9-22(24)19-12-13-21(30-16-19)17-31-27(35)25(33)26(34)28(36)32-14-6-10-23(32)18-7-5-8-20(29)15-18;28-20-7-3-6-17(13-20)23-9-4-12-32(23)27(36)25(34)24(33)26(35)31-16-21-11-10-19(15-30-21)22-8-2-1-5-18(22)14-29;1-36-23-10-3-2-8-21(23)18-11-12-20(29-15-18)16-30-26(34)24(32)25(33)27(35)31-13-5-9-22(31)17-6-4-7-19(28)14-17;28-20-10-7-17(8-11-20)23-6-3-13-32(23)27(36)25(34)24(33)26(35)31-16-21-12-9-19(15-30-21)22-5-2-1-4-18(22)14-29;26-19-4-1-3-17(13-19)21-5-2-12-30(21)25(34)23(32)22(31)24(33)29-15-20-7-6-18(14-28-20)16-8-10-27-11-9-16;26-11-16-5-3-4-8-21(16)17-9-10-20(27-12-17)13-28-24(32)22(30)23(31)25(33)29-14-18-6-1-2-7-19(18)15-29;25-20-8-4-3-5-16(20)9-15-10-19(32-14-15)11-26-23(30)21(28)22(29)24(31)27-12-17-6-1-2-7-18(17)13-27;25-12-15-4-1-2-5-18(15)16-7-8-17(27-13-16)14-28-22(32)20(30)21(31)24(33)29-10-3-6-19(29)23-26-9-11-34-23;22-11-14-5-1-2-6-17(14)15-7-8-16(23-12-15)13-24-20(28)18(26)19(27)21(29)25-9-3-4-10-25/h1-6,8-12,14-16,18-19,28,30-31,38-39H,7,13,17,20-21H2,(H,36,40);3-5,7-9,11-13,15-16,18,24,26-27,34-35H,6,10,14,17H2,1-2H3,(H,32,36);3-5,7-9,11-13,15-16,23,25-26,33-34H,2,6,10,14,17H2,1H3,(H,31,35);1-3,5-8,10-11,13,15,23-25,33-34H,4,9,12,16H2,(H,31,35);2-4,6-8,10-12,14-15,22,24-25,32-33H,5,9,13,16H2,1H3,(H,30,34);1-2,4-5,7-12,15,23-25,33-34H,3,6,13,16H2,(H,31,35);1,3-4,6-11,13-14,21-23,31-32H,2,5,12,15H2,(H,29,33);1-10,12,22-23,30-31H,13-15H2,(H,28,32);1-8,10,14,21-22,28-29H,9,11-13H2,(H,26,30);1-2,4-5,7-9,11,13,19-21,30-31H,3,6,10,14H2,(H,28,32);1-2,5-8,12,18-19,26-27H,3-4,9-10,13H2,(H,24,28)/t28-,30-,31-;24-,26-,27-;23-,25-,26-;23-,24-,25-;22-,24-,25-;23-,24-,25-;21?,22-,23-;22-,23-;21-,22-;19-,20-,21-;18-,19-/m11111111111/s1.
What are the key properties of (2R,3R)-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-(2-methoxyphenyl)-2-pyridinyl]methyl]-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[5-(2-phenylmethoxyphenyl)-2-pyridinyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[5-(2-propan-2-yloxyphenyl)-2-pyridinyl]methyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(5-pyridin-4-yl-2-pyridinyl)methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[5-(2-ethoxyphenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-4-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide?
(2R,3R)-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-(2-methoxyphenyl)-2-pyridinyl]methyl]-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[5-(2-phenylmethoxyphenyl)-2-pyridinyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[5-(2-propan-2-yloxyphenyl)-2-pyridinyl]methyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(5-pyridin-4-yl-2-pyridinyl)methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[5-(2-ethoxyphenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-4-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide has a molecular weight of 5418.01 g/mol, XLogP of 29.86, 83 rotatable bonds, 33 hydrogen bond donors, and 67 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-(2-methoxyphenyl)-2-pyridinyl]methyl]-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[5-(2-phenylmethoxyphenyl)-2-pyridinyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[5-(2-propan-2-yloxyphenyl)-2-pyridinyl]methyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(5-pyridin-4-yl-2-pyridinyl)methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[5-(2-ethoxyphenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide;(2R,3R)-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-4-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide is sourced from PubChem (CID 159499357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).