(2R,3R)-4-[(2R)-2-[3-(4-acetylpiperazin-1-yl)phenyl]pyrrolidin-1-yl]-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;N-[(3-chlorophenyl)methyl]-2-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]benzamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(2-propylphenyl)phenyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-[2-(trifluoromethoxy)phenyl]phenyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-ethoxy-4-fluorophenyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[2-fluoro-4-(2-methoxyphenyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-(2-cyanophenyl)-3-fluorophenyl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-(2-isocyanophenyl)phenyl]methyl]-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-2,3-dihydroxy-N-[[4-(2-methylphenyl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(2-propan-2-ylphenyl)phenyl]methyl]butanamide

C294H301Cl6F8N27O45S — CID 159657595

About (2R,3R)-4-[(2R)-2-[3-(4-acetylpiperazin-1-yl)phenyl]pyrrolidin-1-yl]-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;N-[(3-chlorophenyl)methyl]-2-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]benzamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(2-propylphenyl)phenyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-[2-(trifluoromethoxy)phenyl]phenyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-ethoxy-4-fluorophenyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[2-fluoro-4-(2-methoxyphenyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-(2-cyanophenyl)-3-fluorophenyl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-(2-isocyanophenyl)phenyl]methyl]-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-2,3-dihydroxy-N-[[4-(2-methylphenyl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(2-propan-2-ylphenyl)phenyl]methyl]butanamide

(2R,3R)-4-[(2R)-2-[3-(4-acetylpiperazin-1-yl)phenyl]pyrrolidin-1-yl]-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;N-[(3-chlorophenyl)methyl]-2-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]benzamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(2-propylphenyl)phenyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-[2-(trifluoromethoxy)phenyl]phenyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-ethoxy-4-fluorophenyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[2-fluoro-4-(2-methoxyphenyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-(2-cyanophenyl)-3-fluorophenyl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-(2-isocyanophenyl)phenyl]methyl]-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-2,3-dihydroxy-N-[[4-(2-methylphenyl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(2-propan-2-ylphenyl)phenyl]methyl]butanamide (PubChem CID 159657595) has the molecular formula C294H301Cl6F8N27O45S and a molecular weight of 5329.56 g/mol. Its IUPAC name is (2R,3R)-4-[(2R)-2-[3-(4-acetylpiperazin-1-yl)phenyl]pyrrolidin-1-yl]-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;N-[(3-chlorophenyl)methyl]-2-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]benzamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(2-propylphenyl)phenyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-[2-(trifluoromethoxy)phenyl]phenyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-ethoxy-4-fluorophenyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[2-fluoro-4-(2-methoxyphenyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-(2-cyanophenyl)-3-fluorophenyl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-(2-isocyanophenyl)phenyl]methyl]-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-2,3-dihydroxy-N-[[4-(2-methylphenyl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(2-propan-2-ylphenyl)phenyl]methyl]butanamide.

Molecular Properties

• Compound Name: (2R,3R)-4-[(2R)-2-[3-(4-acetylpiperazin-1-yl)phenyl]pyrrolidin-1-yl]-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;N-[(3-chlorophenyl)methyl]-2-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]benzamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(2-propylphenyl)phenyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-[2-(trifluoromethoxy)phenyl]phenyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-ethoxy-4-fluorophenyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[2-fluoro-4-(2-methoxyphenyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-(2-cyanophenyl)-3-fluorophenyl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-(2-isocyanophenyl)phenyl]methyl]-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-2,3-dihydroxy-N-[[4-(2-methylphenyl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(2-propan-2-ylphenyl)phenyl]methyl]butanamide
• PubChem CID: 159657595
• Molecular Formula: C294H301Cl6F8N27O45S
• Molecular Weight: 5329.56 g/mol
• Exact Mass: 5322.98
• IUPAC Name: (2R,3R)-4-[(2R)-2-[3-(4-acetylpiperazin-1-yl)phenyl]pyrrolidin-1-yl]-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;N-[(3-chlorophenyl)methyl]-2-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]benzamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(2-propylphenyl)phenyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-[2-(trifluoromethoxy)phenyl]phenyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-ethoxy-4-fluorophenyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[2-fluoro-4-(2-methoxyphenyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-(2-cyanophenyl)-3-fluorophenyl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-(2-isocyanophenyl)phenyl]methyl]-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-2,3-dihydroxy-N-[[4-(2-methylphenyl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(2-propan-2-ylphenyl)phenyl]methyl]butanamide
• SMILES: CC(=O)N1CCN(c2cccc([C@H]3CCCN3C(=O)[C@H](O)[C@@H](O)C(=O)NCc3cc(Cc4ccccc4Cl)cs3)c2)CC1.CC(C)c1ccccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCN(c3ccccc3F)CC2)cc1.CCCc1ccccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)cc1.CCOc1cc(F)ccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)cc1.COc1ccccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(Cl)c2)c(F)c1.Cc1ccccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCN(c3ccccc3F)CC2)cc1.N#Cc1ccccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)cc1F.O=C(NCc1ccc(-c2ccccc2OC(F)(F)F)cc1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1.O=C(NCc1cccc(Cl)c1)c1ccccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2ccccc2)cc1.[C-]#[N+]c1ccccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2ccccc2)cc1
• InChI: InChI=1S/C35H34ClN3O5.C32H37ClN4O5S.C30H33ClN2O4.C30H34FN3O4.C29H30ClFN2O5.C28H26ClF3N2O5.C28H28ClFN2O5.C28H30FN3O4.C28H27N3O4.C26H22FN3O4/c36-27-11-6-8-24(20-27)22-37-33(42)29-13-5-4-12-28(29)25-17-15-23(16-18-25)21-38-34(43)31(40)32(41)35(44)39-19-7-14-30(39)26-9-2-1-3-10-26;1-21(38)35-12-14-36(15-13-35)25-8-4-7-24(18-25)28-10-5-11-37(28)32(42)30(40)29(39)31(41)34-19-26-17-22(20-43-26)16-23-6-2-3-9-27(23)33;1-2-7-21-8-3-4-11-25(21)22-15-13-20(14-16-22)19-32-29(36)27(34)28(35)30(37)33-17-6-12-26(33)23-9-5-10-24(31)18-23;1-20(2)23-7-3-4-8-24(23)22-13-11-21(12-14-22)19-32-29(37)27(35)28(36)30(38)34-17-15-33(16-18-34)26-10-6-5-9-25(26)31;1-2-38-25-16-22(31)12-13-23(25)19-10-8-18(9-11-19)17-32-28(36)26(34)27(35)29(37)33-14-4-7-24(33)20-5-3-6-21(30)15-20;29-20-6-3-5-19(15-20)22-8-4-14-34(22)27(38)25(36)24(35)26(37)33-16-17-10-12-18(13-11-17)21-7-1-2-9-23(21)39-28(30,31)32;1-37-24-10-3-2-8-21(24)17-11-12-19(22(30)15-17)16-31-27(35)25(33)26(34)28(36)32-13-5-9-23(32)18-6-4-7-20(29)14-18;1-19-6-2-3-7-22(19)21-12-10-20(11-13-21)18-30-27(35)25(33)26(34)28(36)32-16-14-31(15-17-32)24-9-5-4-8-23(24)29;1-29-23-11-6-5-10-22(23)20-15-13-19(14-16-20)18-30-27(34)25(32)26(33)28(35)31-17-7-12-24(31)21-8-3-2-4-9-21;27-22-11-16(9-10-21(22)20-8-4-3-5-17(20)12-28)13-29-25(33)23(31)24(32)26(34)30-14-18-6-1-2-7-19(18)15-30/h1-6,8-13,15-18,20,30-32,40-41H,7,14,19,21-22H2,(H,37,42)(H,38,43);2-4,6-9,17-18,20,28-30,39-40H,5,10-16,19H2,1H3,(H,34,41);3-5,8-11,13-16,18,26-28,34-35H,2,6-7,12,17,19H2,1H3,(H,32,36);3-14,20,27-28,35-36H,15-19H2,1-2H3,(H,32,37);3,5-6,8-13,15-16,24,26-27,34-35H,2,4,7,14,17H2,1H3,(H,32,36);1-3,5-7,9-13,15,22,24-25,35-36H,4,8,14,16H2,(H,33,37);2-4,6-8,10-12,14-15,23,25-26,33-34H,5,9,13,16H2,1H3,(H,31,35);2-13,25-26,33-34H,14-18H2,1H3,(H,30,35);2-6,8-11,13-16,24-26,32-33H,7,12,17-18H2,(H,30,34);1-11,23-24,31-32H,13-15H2,(H,29,33)/t30?,31-,32-;28-,29-,30-;26-,27-,28-;27-,28-;24-,26-,27-;22-,24-,25-;23?,25-,26-;25-,26-;24?,25-,26-;23-,24-/m1111111111/s1
• InChIKey: MSJILAPIWHYYOF-QGNWYJMPSA-N
• XLogP: 37.01
• TPSA: 1013.67 Ų
• H-Bond Donors: 31
• H-Bond Acceptors: 50
• Rotatable Bonds: 81
• Heavy Atoms: 381
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5329.56
LogP ≤ 5	37.01
H-Bond Donors ≤ 5	31
H-Bond Acceptors ≤ 10	50

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-4-[(2R)-2-[3-(4-acetylpiperazin-1-yl)phenyl]pyrrolidin-1-yl]-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;N-[(3-chlorophenyl)methyl]-2-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]benzamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(2-propylphenyl)phenyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-[2-(trifluoromethoxy)phenyl]phenyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-ethoxy-4-fluorophenyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[2-fluoro-4-(2-methoxyphenyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-(2-cyanophenyl)-3-fluorophenyl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-(2-isocyanophenyl)phenyl]methyl]-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-2,3-dihydroxy-N-[[4-(2-methylphenyl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(2-propan-2-ylphenyl)phenyl]methyl]butanamide?

The IUPAC name of (2R,3R)-4-[(2R)-2-[3-(4-acetylpiperazin-1-yl)phenyl]pyrrolidin-1-yl]-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;N-[(3-chlorophenyl)methyl]-2-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]benzamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(2-propylphenyl)phenyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-[2-(trifluoromethoxy)phenyl]phenyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-ethoxy-4-fluorophenyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[2-fluoro-4-(2-methoxyphenyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-(2-cyanophenyl)-3-fluorophenyl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-(2-isocyanophenyl)phenyl]methyl]-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-2,3-dihydroxy-N-[[4-(2-methylphenyl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(2-propan-2-ylphenyl)phenyl]methyl]butanamide (CID 159657595) is (2R,3R)-4-[(2R)-2-[3-(4-acetylpiperazin-1-yl)phenyl]pyrrolidin-1-yl]-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;N-[(3-chlorophenyl)methyl]-2-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]benzamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(2-propylphenyl)phenyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-[2-(trifluoromethoxy)phenyl]phenyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-ethoxy-4-fluorophenyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[2-fluoro-4-(2-methoxyphenyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-(2-cyanophenyl)-3-fluorophenyl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-(2-isocyanophenyl)phenyl]methyl]-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-2,3-dihydroxy-N-[[4-(2-methylphenyl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(2-propan-2-ylphenyl)phenyl]methyl]butanamide.

What is the SMILES notation for (2R,3R)-4-[(2R)-2-[3-(4-acetylpiperazin-1-yl)phenyl]pyrrolidin-1-yl]-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;N-[(3-chlorophenyl)methyl]-2-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]benzamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(2-propylphenyl)phenyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-[2-(trifluoromethoxy)phenyl]phenyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-ethoxy-4-fluorophenyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[2-fluoro-4-(2-methoxyphenyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-(2-cyanophenyl)-3-fluorophenyl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-(2-isocyanophenyl)phenyl]methyl]-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-2,3-dihydroxy-N-[[4-(2-methylphenyl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(2-propan-2-ylphenyl)phenyl]methyl]butanamide?

The canonical SMILES for (2R,3R)-4-[(2R)-2-[3-(4-acetylpiperazin-1-yl)phenyl]pyrrolidin-1-yl]-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;N-[(3-chlorophenyl)methyl]-2-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]benzamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(2-propylphenyl)phenyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-[2-(trifluoromethoxy)phenyl]phenyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-ethoxy-4-fluorophenyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[2-fluoro-4-(2-methoxyphenyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-(2-cyanophenyl)-3-fluorophenyl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-(2-isocyanophenyl)phenyl]methyl]-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-2,3-dihydroxy-N-[[4-(2-methylphenyl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(2-propan-2-ylphenyl)phenyl]methyl]butanamide is CC(=O)N1CCN(c2cccc([C@H]3CCCN3C(=O)[C@H](O)[C@@H](O)C(=O)NCc3cc(Cc4ccccc4Cl)cs3)c2)CC1.CC(C)c1ccccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCN(c3ccccc3F)CC2)cc1.CCCc1ccccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)cc1.CCOc1cc(F)ccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)cc1.COc1ccccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(Cl)c2)c(F)c1.Cc1ccccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCN(c3ccccc3F)CC2)cc1.N#Cc1ccccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)cc1F.O=C(NCc1ccc(-c2ccccc2OC(F)(F)F)cc1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1.O=C(NCc1cccc(Cl)c1)c1ccccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2ccccc2)cc1.[C-]#[N+]c1ccccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2ccccc2)cc1.

What is the InChIKey of (2R,3R)-4-[(2R)-2-[3-(4-acetylpiperazin-1-yl)phenyl]pyrrolidin-1-yl]-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;N-[(3-chlorophenyl)methyl]-2-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]benzamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(2-propylphenyl)phenyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-[2-(trifluoromethoxy)phenyl]phenyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-ethoxy-4-fluorophenyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[2-fluoro-4-(2-methoxyphenyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-(2-cyanophenyl)-3-fluorophenyl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-(2-isocyanophenyl)phenyl]methyl]-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-2,3-dihydroxy-N-[[4-(2-methylphenyl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(2-propan-2-ylphenyl)phenyl]methyl]butanamide?

The InChIKey is MSJILAPIWHYYOF-QGNWYJMPSA-N. The full InChI is InChI=1S/C35H34ClN3O5.C32H37ClN4O5S.C30H33ClN2O4.C30H34FN3O4.C29H30ClFN2O5.C28H26ClF3N2O5.C28H28ClFN2O5.C28H30FN3O4.C28H27N3O4.C26H22FN3O4/c36-27-11-6-8-24(20-27)22-37-33(42)29-13-5-4-12-28(29)25-17-15-23(16-18-25)21-38-34(43)31(40)32(41)35(44)39-19-7-14-30(39)26-9-2-1-3-10-26;1-21(38)35-12-14-36(15-13-35)25-8-4-7-24(18-25)28-10-5-11-37(28)32(42)30(40)29(39)31(41)34-19-26-17-22(20-43-26)16-23-6-2-3-9-27(23)33;1-2-7-21-8-3-4-11-25(21)22-15-13-20(14-16-22)19-32-29(36)27(34)28(35)30(37)33-17-6-12-26(33)23-9-5-10-24(31)18-23;1-20(2)23-7-3-4-8-24(23)22-13-11-21(12-14-22)19-32-29(37)27(35)28(36)30(38)34-17-15-33(16-18-34)26-10-6-5-9-25(26)31;1-2-38-25-16-22(31)12-13-23(25)19-10-8-18(9-11-19)17-32-28(36)26(34)27(35)29(37)33-14-4-7-24(33)20-5-3-6-21(30)15-20;29-20-6-3-5-19(15-20)22-8-4-14-34(22)27(38)25(36)24(35)26(37)33-16-17-10-12-18(13-11-17)21-7-1-2-9-23(21)39-28(30,31)32;1-37-24-10-3-2-8-21(24)17-11-12-19(22(30)15-17)16-31-27(35)25(33)26(34)28(36)32-13-5-9-23(32)18-6-4-7-20(29)14-18;1-19-6-2-3-7-22(19)21-12-10-20(11-13-21)18-30-27(35)25(33)26(34)28(36)32-16-14-31(15-17-32)24-9-5-4-8-23(24)29;1-29-23-11-6-5-10-22(23)20-15-13-19(14-16-20)18-30-27(34)25(32)26(33)28(35)31-17-7-12-24(31)21-8-3-2-4-9-21;27-22-11-16(9-10-21(22)20-8-4-3-5-17(20)12-28)13-29-25(33)23(31)24(32)26(34)30-14-18-6-1-2-7-19(18)15-30/h1-6,8-13,15-18,20,30-32,40-41H,7,14,19,21-22H2,(H,37,42)(H,38,43);2-4,6-9,17-18,20,28-30,39-40H,5,10-16,19H2,1H3,(H,34,41);3-5,8-11,13-16,18,26-28,34-35H,2,6-7,12,17,19H2,1H3,(H,32,36);3-14,20,27-28,35-36H,15-19H2,1-2H3,(H,32,37);3,5-6,8-13,15-16,24,26-27,34-35H,2,4,7,14,17H2,1H3,(H,32,36);1-3,5-7,9-13,15,22,24-25,35-36H,4,8,14,16H2,(H,33,37);2-4,6-8,10-12,14-15,23,25-26,33-34H,5,9,13,16H2,1H3,(H,31,35);2-13,25-26,33-34H,14-18H2,1H3,(H,30,35);2-6,8-11,13-16,24-26,32-33H,7,12,17-18H2,(H,30,34);1-11,23-24,31-32H,13-15H2,(H,29,33)/t30?,31-,32-;28-,29-,30-;26-,27-,28-;27-,28-;24-,26-,27-;22-,24-,25-;23?,25-,26-;25-,26-;24?,25-,26-;23-,24-/m1111111111/s1.

What are the key properties of (2R,3R)-4-[(2R)-2-[3-(4-acetylpiperazin-1-yl)phenyl]pyrrolidin-1-yl]-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;N-[(3-chlorophenyl)methyl]-2-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]benzamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(2-propylphenyl)phenyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-[2-(trifluoromethoxy)phenyl]phenyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-ethoxy-4-fluorophenyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[2-fluoro-4-(2-methoxyphenyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-(2-cyanophenyl)-3-fluorophenyl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-(2-isocyanophenyl)phenyl]methyl]-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-2,3-dihydroxy-N-[[4-(2-methylphenyl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(2-propan-2-ylphenyl)phenyl]methyl]butanamide?

(2R,3R)-4-[(2R)-2-[3-(4-acetylpiperazin-1-yl)phenyl]pyrrolidin-1-yl]-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;N-[(3-chlorophenyl)methyl]-2-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]benzamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(2-propylphenyl)phenyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-[2-(trifluoromethoxy)phenyl]phenyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-ethoxy-4-fluorophenyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[2-fluoro-4-(2-methoxyphenyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-(2-cyanophenyl)-3-fluorophenyl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-(2-isocyanophenyl)phenyl]methyl]-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-2,3-dihydroxy-N-[[4-(2-methylphenyl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(2-propan-2-ylphenyl)phenyl]methyl]butanamide has a molecular weight of 5329.56 g/mol, XLogP of 37.01, 81 rotatable bonds, 31 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R)-4-[(2R)-2-[3-(4-acetylpiperazin-1-yl)phenyl]pyrrolidin-1-yl]-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;N-[(3-chlorophenyl)methyl]-2-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]benzamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(2-propylphenyl)phenyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-[2-(trifluoromethoxy)phenyl]phenyl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-ethoxy-4-fluorophenyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[2-fluoro-4-(2-methoxyphenyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-(2-cyanophenyl)-3-fluorophenyl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-(2-isocyanophenyl)phenyl]methyl]-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-2,3-dihydroxy-N-[[4-(2-methylphenyl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(2-propan-2-ylphenyl)phenyl]methyl]butanamide is sourced from PubChem (CID 159657595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).