(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-(2-propoxy-3-pyridinyl)phenyl]ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[(1R)-1-[4-(2-ethoxy-3-pyridinyl)phenyl]ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-[2-(2-cyclohexylethoxy)-4-fluorophenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(2-cyclohexylethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(2-cyclopentylethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(cyclopentylmethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[[4-(2-phenoxyphenyl)phenyl]methyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(3,3-dimethylbutoxy)-4-fluorophenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-(2-ethoxy-3-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide

C271H325Cl2F6N23O50 — CID 162098396

About (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-(2-propoxy-3-pyridinyl)phenyl]ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[(1R)-1-[4-(2-ethoxy-3-pyridinyl)phenyl]ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-[2-(2-cyclohexylethoxy)-4-fluorophenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(2-cyclohexylethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(2-cyclopentylethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(cyclopentylmethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[[4-(2-phenoxyphenyl)phenyl]methyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(3,3-dimethylbutoxy)-4-fluorophenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-(2-ethoxy-3-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide

(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-(2-propoxy-3-pyridinyl)phenyl]ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[(1R)-1-[4-(2-ethoxy-3-pyridinyl)phenyl]ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-[2-(2-cyclohexylethoxy)-4-fluorophenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(2-cyclohexylethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(2-cyclopentylethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(cyclopentylmethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[[4-(2-phenoxyphenyl)phenyl]methyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(3,3-dimethylbutoxy)-4-fluorophenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-(2-ethoxy-3-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide (PubChem CID 162098396) has the molecular formula C271H325Cl2F6N23O50 and a molecular weight of 4889.59 g/mol. Its IUPAC name is (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-(2-propoxy-3-pyridinyl)phenyl]ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[(1R)-1-[4-(2-ethoxy-3-pyridinyl)phenyl]ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-[2-(2-cyclohexylethoxy)-4-fluorophenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(2-cyclohexylethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(2-cyclopentylethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(cyclopentylmethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[[4-(2-phenoxyphenyl)phenyl]methyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(3,3-dimethylbutoxy)-4-fluorophenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-(2-ethoxy-3-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide.

Molecular Properties

• Compound Name: (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-(2-propoxy-3-pyridinyl)phenyl]ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[(1R)-1-[4-(2-ethoxy-3-pyridinyl)phenyl]ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-[2-(2-cyclohexylethoxy)-4-fluorophenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(2-cyclohexylethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(2-cyclopentylethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(cyclopentylmethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[[4-(2-phenoxyphenyl)phenyl]methyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(3,3-dimethylbutoxy)-4-fluorophenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-(2-ethoxy-3-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide
• PubChem CID: 162098396
• Molecular Formula: C271H325Cl2F6N23O50
• Molecular Weight: 4889.59 g/mol
• Exact Mass: 4885.29
• IUPAC Name: (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-(2-propoxy-3-pyridinyl)phenyl]ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[(1R)-1-[4-(2-ethoxy-3-pyridinyl)phenyl]ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-[2-(2-cyclohexylethoxy)-4-fluorophenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(2-cyclohexylethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(2-cyclopentylethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(cyclopentylmethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[[4-(2-phenoxyphenyl)phenyl]methyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(3,3-dimethylbutoxy)-4-fluorophenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-(2-ethoxy-3-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide
• SMILES: CC(C)(C)CCOc1cc(F)ccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2)cc1.CCCOc1ncccc1-c1ccc([C@@H](C)NC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)cc1.CCOc1ncccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2)cc1.CCOc1ncccc1-c1ccc([C@@H](C)NC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)cc1.O=C(NCc1ccc(-c2ccc(F)cc2OCC(F)(F)F)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1.O=C(NCc1ccc(-c2ccc(F)cc2OCCC2CCCCC2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1.O=C(NCc1ccc(-c2ccccc2OCC2CCCC2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1.O=C(NCc1ccc(-c2ccccc2OCCC2CCCC2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1.O=C(NCc1ccc(-c2ccccc2OCCC2CCCCC2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1.O=C(NCc1ccc(-c2ccccc2Oc2ccccc2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1
• InChI: InChI=1S/C30H34ClN3O5.C29H32ClN3O5.C29H37FN2O5.C29H38N2O5.C28H36N2O5.C27H35FN2O5.C27H34N2O5.C27H28N2O5.C23H24F4N2O5.C22H27N3O5/c1-3-17-39-29-24(9-5-15-32-29)21-13-11-20(12-14-21)19(2)33-28(37)26(35)27(36)30(38)34-16-6-10-25(34)22-7-4-8-23(31)18-22;1-3-38-28-23(9-5-15-31-28)20-13-11-19(12-14-20)18(2)32-27(36)25(34)26(35)29(37)33-16-6-10-24(33)21-7-4-8-22(30)17-21;30-23-12-13-24(25(18-23)37-17-14-20-6-2-1-3-7-20)22-10-8-21(9-11-22)19-31-28(35)26(33)27(34)29(36)32-15-4-5-16-32;32-26(27(33)29(35)31-17-6-7-18-31)28(34)30-20-22-12-14-23(15-13-22)24-10-4-5-11-25(24)36-19-16-21-8-2-1-3-9-21;31-25(26(32)28(34)30-16-5-6-17-30)27(33)29-19-21-11-13-22(14-12-21)23-9-3-4-10-24(23)35-18-15-20-7-1-2-8-20;1-27(2,3)12-15-35-22-16-20(28)10-11-21(22)19-8-6-18(7-9-19)17-29-25(33)23(31)24(32)26(34)30-13-4-5-14-30;30-24(25(31)27(33)29-15-5-6-16-29)26(32)28-17-19-11-13-21(14-12-19)22-9-3-4-10-23(22)34-18-20-7-1-2-8-20;30-24(25(31)27(33)29-16-6-7-17-29)26(32)28-18-19-12-14-20(15-13-19)22-10-4-5-11-23(22)34-21-8-2-1-3-9-21;24-16-7-8-17(18(11-16)34-13-23(25,26)27)15-5-3-14(4-6-15)12-28-21(32)19(30)20(31)22(33)29-9-1-2-10-29;1-2-30-21-17(6-5-11-23-21)16-9-7-15(8-10-16)14-24-20(28)18(26)19(27)22(29)25-12-3-4-13-25/h4-5,7-9,11-15,18-19,25-27,35-36H,3,6,10,16-17H2,1-2H3,(H,33,37);4-5,7-9,11-15,17-18,24-26,34-35H,3,6,10,16H2,1-2H3,(H,32,36);8-13,18,20,26-27,33-34H,1-7,14-17,19H2,(H,31,35);4-5,10-15,21,26-27,32-33H,1-3,6-9,16-20H2,(H,30,34);3-4,9-14,20,25-26,31-32H,1-2,5-8,15-19H2,(H,29,33);6-11,16,23-24,31-32H,4-5,12-15,17H2,1-3H3,(H,29,33);3-4,9-14,20,24-25,30-31H,1-2,5-8,15-18H2,(H,28,32);1-5,8-15,24-25,30-31H,6-7,16-18H2,(H,28,32);3-8,11,19-20,30-31H,1-2,9-10,12-13H2,(H,28,32);5-11,18-19,26-27H,2-4,12-14H2,1H3,(H,24,28)/t19-,25-,26-,27-;18-,24-,25-,26-;2*26-,27-;25-,26-;23-,24-;2*24-,25-;19-,20-;18-,19-/m1111111111/s1
• InChIKey: ZEOAMJZOTRRMGY-WGJZNANHSA-N
• XLogP: 32.01
• TPSA: 1029.67 Ų
• H-Bond Donors: 30
• H-Bond Acceptors: 53
• Rotatable Bonds: 91
• Heavy Atoms: 352
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4889.59
LogP ≤ 5	32.01
H-Bond Donors ≤ 5	30
H-Bond Acceptors ≤ 10	53

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-(2-propoxy-3-pyridinyl)phenyl]ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[(1R)-1-[4-(2-ethoxy-3-pyridinyl)phenyl]ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-[2-(2-cyclohexylethoxy)-4-fluorophenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(2-cyclohexylethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(2-cyclopentylethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(cyclopentylmethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[[4-(2-phenoxyphenyl)phenyl]methyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(3,3-dimethylbutoxy)-4-fluorophenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-(2-ethoxy-3-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide?

The IUPAC name of (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-(2-propoxy-3-pyridinyl)phenyl]ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[(1R)-1-[4-(2-ethoxy-3-pyridinyl)phenyl]ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-[2-(2-cyclohexylethoxy)-4-fluorophenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(2-cyclohexylethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(2-cyclopentylethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(cyclopentylmethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[[4-(2-phenoxyphenyl)phenyl]methyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(3,3-dimethylbutoxy)-4-fluorophenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-(2-ethoxy-3-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide (CID 162098396) is (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-(2-propoxy-3-pyridinyl)phenyl]ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[(1R)-1-[4-(2-ethoxy-3-pyridinyl)phenyl]ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-[2-(2-cyclohexylethoxy)-4-fluorophenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(2-cyclohexylethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(2-cyclopentylethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(cyclopentylmethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[[4-(2-phenoxyphenyl)phenyl]methyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(3,3-dimethylbutoxy)-4-fluorophenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-(2-ethoxy-3-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide.

What is the SMILES notation for (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-(2-propoxy-3-pyridinyl)phenyl]ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[(1R)-1-[4-(2-ethoxy-3-pyridinyl)phenyl]ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-[2-(2-cyclohexylethoxy)-4-fluorophenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(2-cyclohexylethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(2-cyclopentylethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(cyclopentylmethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[[4-(2-phenoxyphenyl)phenyl]methyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(3,3-dimethylbutoxy)-4-fluorophenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-(2-ethoxy-3-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide?

The canonical SMILES for (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-(2-propoxy-3-pyridinyl)phenyl]ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[(1R)-1-[4-(2-ethoxy-3-pyridinyl)phenyl]ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-[2-(2-cyclohexylethoxy)-4-fluorophenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(2-cyclohexylethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(2-cyclopentylethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(cyclopentylmethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[[4-(2-phenoxyphenyl)phenyl]methyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(3,3-dimethylbutoxy)-4-fluorophenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-(2-ethoxy-3-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide is CC(C)(C)CCOc1cc(F)ccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2)cc1.CCCOc1ncccc1-c1ccc([C@@H](C)NC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)cc1.CCOc1ncccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2)cc1.CCOc1ncccc1-c1ccc([C@@H](C)NC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)cc1.O=C(NCc1ccc(-c2ccc(F)cc2OCC(F)(F)F)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1.O=C(NCc1ccc(-c2ccc(F)cc2OCCC2CCCCC2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1.O=C(NCc1ccc(-c2ccccc2OCC2CCCC2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1.O=C(NCc1ccc(-c2ccccc2OCCC2CCCC2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1.O=C(NCc1ccc(-c2ccccc2OCCC2CCCCC2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1.O=C(NCc1ccc(-c2ccccc2Oc2ccccc2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1.

What is the InChIKey of (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-(2-propoxy-3-pyridinyl)phenyl]ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[(1R)-1-[4-(2-ethoxy-3-pyridinyl)phenyl]ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-[2-(2-cyclohexylethoxy)-4-fluorophenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(2-cyclohexylethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(2-cyclopentylethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(cyclopentylmethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[[4-(2-phenoxyphenyl)phenyl]methyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(3,3-dimethylbutoxy)-4-fluorophenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-(2-ethoxy-3-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide?

The InChIKey is ZEOAMJZOTRRMGY-WGJZNANHSA-N. The full InChI is InChI=1S/C30H34ClN3O5.C29H32ClN3O5.C29H37FN2O5.C29H38N2O5.C28H36N2O5.C27H35FN2O5.C27H34N2O5.C27H28N2O5.C23H24F4N2O5.C22H27N3O5/c1-3-17-39-29-24(9-5-15-32-29)21-13-11-20(12-14-21)19(2)33-28(37)26(35)27(36)30(38)34-16-6-10-25(34)22-7-4-8-23(31)18-22;1-3-38-28-23(9-5-15-31-28)20-13-11-19(12-14-20)18(2)32-27(36)25(34)26(35)29(37)33-16-6-10-24(33)21-7-4-8-22(30)17-21;30-23-12-13-24(25(18-23)37-17-14-20-6-2-1-3-7-20)22-10-8-21(9-11-22)19-31-28(35)26(33)27(34)29(36)32-15-4-5-16-32;32-26(27(33)29(35)31-17-6-7-18-31)28(34)30-20-22-12-14-23(15-13-22)24-10-4-5-11-25(24)36-19-16-21-8-2-1-3-9-21;31-25(26(32)28(34)30-16-5-6-17-30)27(33)29-19-21-11-13-22(14-12-21)23-9-3-4-10-24(23)35-18-15-20-7-1-2-8-20;1-27(2,3)12-15-35-22-16-20(28)10-11-21(22)19-8-6-18(7-9-19)17-29-25(33)23(31)24(32)26(34)30-13-4-5-14-30;30-24(25(31)27(33)29-15-5-6-16-29)26(32)28-17-19-11-13-21(14-12-19)22-9-3-4-10-23(22)34-18-20-7-1-2-8-20;30-24(25(31)27(33)29-16-6-7-17-29)26(32)28-18-19-12-14-20(15-13-19)22-10-4-5-11-23(22)34-21-8-2-1-3-9-21;24-16-7-8-17(18(11-16)34-13-23(25,26)27)15-5-3-14(4-6-15)12-28-21(32)19(30)20(31)22(33)29-9-1-2-10-29;1-2-30-21-17(6-5-11-23-21)16-9-7-15(8-10-16)14-24-20(28)18(26)19(27)22(29)25-12-3-4-13-25/h4-5,7-9,11-15,18-19,25-27,35-36H,3,6,10,16-17H2,1-2H3,(H,33,37);4-5,7-9,11-15,17-18,24-26,34-35H,3,6,10,16H2,1-2H3,(H,32,36);8-13,18,20,26-27,33-34H,1-7,14-17,19H2,(H,31,35);4-5,10-15,21,26-27,32-33H,1-3,6-9,16-20H2,(H,30,34);3-4,9-14,20,25-26,31-32H,1-2,5-8,15-19H2,(H,29,33);6-11,16,23-24,31-32H,4-5,12-15,17H2,1-3H3,(H,29,33);3-4,9-14,20,24-25,30-31H,1-2,5-8,15-18H2,(H,28,32);1-5,8-15,24-25,30-31H,6-7,16-18H2,(H,28,32);3-8,11,19-20,30-31H,1-2,9-10,12-13H2,(H,28,32);5-11,18-19,26-27H,2-4,12-14H2,1H3,(H,24,28)/t19-,25-,26-,27-;18-,24-,25-,26-;2*26-,27-;25-,26-;23-,24-;2*24-,25-;19-,20-;18-,19-/m1111111111/s1.

What are the key properties of (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-(2-propoxy-3-pyridinyl)phenyl]ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[(1R)-1-[4-(2-ethoxy-3-pyridinyl)phenyl]ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-[2-(2-cyclohexylethoxy)-4-fluorophenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(2-cyclohexylethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(2-cyclopentylethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(cyclopentylmethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[[4-(2-phenoxyphenyl)phenyl]methyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(3,3-dimethylbutoxy)-4-fluorophenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-(2-ethoxy-3-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide?

(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-(2-propoxy-3-pyridinyl)phenyl]ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[(1R)-1-[4-(2-ethoxy-3-pyridinyl)phenyl]ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-[2-(2-cyclohexylethoxy)-4-fluorophenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(2-cyclohexylethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(2-cyclopentylethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(cyclopentylmethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[[4-(2-phenoxyphenyl)phenyl]methyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(3,3-dimethylbutoxy)-4-fluorophenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-(2-ethoxy-3-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide has a molecular weight of 4889.59 g/mol, XLogP of 32.01, 91 rotatable bonds, 30 hydrogen bond donors, and 53 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-4-oxo-N-[(1R)-1-[4-(2-propoxy-3-pyridinyl)phenyl]ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[(1R)-1-[4-(2-ethoxy-3-pyridinyl)phenyl]ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-[2-(2-cyclohexylethoxy)-4-fluorophenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(2-cyclohexylethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(2-cyclopentylethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(cyclopentylmethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[[4-(2-phenoxyphenyl)phenyl]methyl]-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[2-(3,3-dimethylbutoxy)-4-fluorophenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-(2-ethoxy-3-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 162098396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).