(2R,3R)-4-(4-acetyl-4-phenylpiperidin-1-yl)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-4-[(2R)-2-[2-[[2-(dimethylamino)acetyl]amino]-1,3-thiazol-4-yl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-[2-[3-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxo-4-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide

C229H277ClN36O34S9 — CID 159448506

About (2R,3R)-4-(4-acetyl-4-phenylpiperidin-1-yl)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-4-[(2R)-2-[2-[[2-(dimethylamino)acetyl]amino]-1,3-thiazol-4-yl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-[2-[3-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxo-4-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide

(2R,3R)-4-(4-acetyl-4-phenylpiperidin-1-yl)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-4-[(2R)-2-[2-[[2-(dimethylamino)acetyl]amino]-1,3-thiazol-4-yl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-[2-[3-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxo-4-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide (PubChem CID 159448506) has the molecular formula C229H277ClN36O34S9 and a molecular weight of 4402.01 g/mol. Its IUPAC name is (2R,3R)-4-(4-acetyl-4-phenylpiperidin-1-yl)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-4-[(2R)-2-[2-[[2-(dimethylamino)acetyl]amino]-1,3-thiazol-4-yl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-[2-[3-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxo-4-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide.

Molecular Properties

• Compound Name: (2R,3R)-4-(4-acetyl-4-phenylpiperidin-1-yl)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-4-[(2R)-2-[2-[[2-(dimethylamino)acetyl]amino]-1,3-thiazol-4-yl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-[2-[3-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxo-4-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide
• PubChem CID: 159448506
• Molecular Formula: C229H277ClN36O34S9
• Molecular Weight: 4402.01 g/mol
• Exact Mass: 4397.82
• IUPAC Name: (2R,3R)-4-(4-acetyl-4-phenylpiperidin-1-yl)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-4-[(2R)-2-[2-[[2-(dimethylamino)acetyl]amino]-1,3-thiazol-4-yl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-[2-[3-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxo-4-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide
• SMILES: CC(=O)C1(c2ccccc2)CCN(C(=O)[C@H](O)[C@@H](O)C(=O)NCCc2nc(Cc3ccccc3)cs2)CC1.CN(C)CC(=O)Nc1nc([C@H]2CCCN2C(=O)[C@H](O)[C@@H](O)C(=O)NCCc2cccs2)cs1.Cc1cccc(C)c1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(CN(C)C)c2)n1.Cc1cccc(C)c1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(CN3CCCC3)c2)n1.Cc1nc2ccccc2n1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(CN3CCCC3)c2)n1.Cc1nc2ccccc2n1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(CN3CCN(C)CC3)c2)n1.O=C(NCCc1nc(Cc2ccccc2)cs1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1ccccc1.O=C(NCCc1nc(Cc2ccccc2)cs1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccccc2Cl)CC1
• InChI: InChI=1S/C33H41N7O4S.C32H38N6O4S.C32H40N4O4S.C30H38N4O4S.C29H33N3O5S.C26H29ClN4O4S.C26H29N3O4S.C21H29N5O5S2/c1-22-35-26-9-3-4-10-28(26)40(22)20-25-21-45-29(36-25)18-34-32(43)30(41)31(42)33(44)39-12-6-11-27(39)24-8-5-7-23(17-24)19-38-15-13-37(2)14-16-38;1-21-34-25-10-2-3-11-27(25)38(21)19-24-20-43-28(35-24)17-33-31(41)29(39)30(40)32(42)37-15-7-12-26(37)23-9-6-8-22(16-23)18-36-13-4-5-14-36;1-21-8-5-9-22(2)26(21)17-25-20-41-28(34-25)18-33-31(39)29(37)30(38)32(40)36-15-7-12-27(36)24-11-6-10-23(16-24)19-35-13-3-4-14-35;1-19-8-5-9-20(2)24(19)15-23-18-39-26(32-23)16-31-29(37)27(35)28(36)30(38)34-13-7-12-25(34)22-11-6-10-21(14-22)17-33(3)4;1-20(33)29(22-10-6-3-7-11-22)13-16-32(17-14-29)28(37)26(35)25(34)27(36)30-15-12-24-31-23(19-38-24)18-21-8-4-2-5-9-21;27-20-8-4-5-9-21(20)30-12-14-31(15-13-30)26(35)24(33)23(32)25(34)28-11-10-22-29-19(17-36-22)16-18-6-2-1-3-7-18;30-23(24(31)26(33)29-15-7-12-21(29)19-10-5-2-6-11-19)25(32)27-14-13-22-28-20(17-34-22)16-18-8-3-1-4-9-18;1-25(2)11-16(27)24-21-23-14(12-33-21)15-6-3-9-26(15)20(31)18(29)17(28)19(30)22-8-7-13-5-4-10-32-13/h3-5,7-10,17,21,27,30-31,41-42H,6,11-16,18-20H2,1-2H3,(H,34,43);2-3,6,8-11,16,20,26,29-30,39-40H,4-5,7,12-15,17-19H2,1H3,(H,33,41);5-6,8-11,16,20,27,29-30,37-38H,3-4,7,12-15,17-19H2,1-2H3,(H,33,39);5-6,8-11,14,18,25,27-28,35-36H,7,12-13,15-17H2,1-4H3,(H,31,37);2-11,19,25-26,34-35H,12-18H2,1H3,(H,30,36);1-9,17,23-24,32-33H,10-16H2,(H,28,34);1-6,8-11,17,21,23-24,30-31H,7,12-16H2,(H,27,32);4-5,10,12,15,17-18,28-29H,3,6-9,11H2,1-2H3,(H,22,30)(H,23,24,27)/t27?,30-,31-;26?,29-,30-;27?,29-,30-;25?,27-,28-;25-,26-;23-,24-;21?,23-,24-;15-,17-,18-/m11111111/s1
• InChIKey: LTBJQUVFEFWPFQ-XWONMDLZSA-N
• XLogP: 19.52
• TPSA: 926.57 Ų
• H-Bond Donors: 25
• H-Bond Acceptors: 62
• Rotatable Bonds: 78
• Heavy Atoms: 309
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4402.01
LogP ≤ 5	19.52
H-Bond Donors ≤ 5	25
H-Bond Acceptors ≤ 10	62

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-4-(4-acetyl-4-phenylpiperidin-1-yl)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-4-[(2R)-2-[2-[[2-(dimethylamino)acetyl]amino]-1,3-thiazol-4-yl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-[2-[3-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxo-4-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide?

The IUPAC name of (2R,3R)-4-(4-acetyl-4-phenylpiperidin-1-yl)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-4-[(2R)-2-[2-[[2-(dimethylamino)acetyl]amino]-1,3-thiazol-4-yl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-[2-[3-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxo-4-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide (CID 159448506) is (2R,3R)-4-(4-acetyl-4-phenylpiperidin-1-yl)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-4-[(2R)-2-[2-[[2-(dimethylamino)acetyl]amino]-1,3-thiazol-4-yl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-[2-[3-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxo-4-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide.

What is the SMILES notation for (2R,3R)-4-(4-acetyl-4-phenylpiperidin-1-yl)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-4-[(2R)-2-[2-[[2-(dimethylamino)acetyl]amino]-1,3-thiazol-4-yl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-[2-[3-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxo-4-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide?

The canonical SMILES for (2R,3R)-4-(4-acetyl-4-phenylpiperidin-1-yl)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-4-[(2R)-2-[2-[[2-(dimethylamino)acetyl]amino]-1,3-thiazol-4-yl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-[2-[3-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxo-4-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide is CC(=O)C1(c2ccccc2)CCN(C(=O)[C@H](O)[C@@H](O)C(=O)NCCc2nc(Cc3ccccc3)cs2)CC1.CN(C)CC(=O)Nc1nc([C@H]2CCCN2C(=O)[C@H](O)[C@@H](O)C(=O)NCCc2cccs2)cs1.Cc1cccc(C)c1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(CN(C)C)c2)n1.Cc1cccc(C)c1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(CN3CCCC3)c2)n1.Cc1nc2ccccc2n1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(CN3CCCC3)c2)n1.Cc1nc2ccccc2n1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(CN3CCN(C)CC3)c2)n1.O=C(NCCc1nc(Cc2ccccc2)cs1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1ccccc1.O=C(NCCc1nc(Cc2ccccc2)cs1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccccc2Cl)CC1.

What is the InChIKey of (2R,3R)-4-(4-acetyl-4-phenylpiperidin-1-yl)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-4-[(2R)-2-[2-[[2-(dimethylamino)acetyl]amino]-1,3-thiazol-4-yl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-[2-[3-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxo-4-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide?

The InChIKey is LTBJQUVFEFWPFQ-XWONMDLZSA-N. The full InChI is InChI=1S/C33H41N7O4S.C32H38N6O4S.C32H40N4O4S.C30H38N4O4S.C29H33N3O5S.C26H29ClN4O4S.C26H29N3O4S.C21H29N5O5S2/c1-22-35-26-9-3-4-10-28(26)40(22)20-25-21-45-29(36-25)18-34-32(43)30(41)31(42)33(44)39-12-6-11-27(39)24-8-5-7-23(17-24)19-38-15-13-37(2)14-16-38;1-21-34-25-10-2-3-11-27(25)38(21)19-24-20-43-28(35-24)17-33-31(41)29(39)30(40)32(42)37-15-7-12-26(37)23-9-6-8-22(16-23)18-36-13-4-5-14-36;1-21-8-5-9-22(2)26(21)17-25-20-41-28(34-25)18-33-31(39)29(37)30(38)32(40)36-15-7-12-27(36)24-11-6-10-23(16-24)19-35-13-3-4-14-35;1-19-8-5-9-20(2)24(19)15-23-18-39-26(32-23)16-31-29(37)27(35)28(36)30(38)34-13-7-12-25(34)22-11-6-10-21(14-22)17-33(3)4;1-20(33)29(22-10-6-3-7-11-22)13-16-32(17-14-29)28(37)26(35)25(34)27(36)30-15-12-24-31-23(19-38-24)18-21-8-4-2-5-9-21;27-20-8-4-5-9-21(20)30-12-14-31(15-13-30)26(35)24(33)23(32)25(34)28-11-10-22-29-19(17-36-22)16-18-6-2-1-3-7-18;30-23(24(31)26(33)29-15-7-12-21(29)19-10-5-2-6-11-19)25(32)27-14-13-22-28-20(17-34-22)16-18-8-3-1-4-9-18;1-25(2)11-16(27)24-21-23-14(12-33-21)15-6-3-9-26(15)20(31)18(29)17(28)19(30)22-8-7-13-5-4-10-32-13/h3-5,7-10,17,21,27,30-31,41-42H,6,11-16,18-20H2,1-2H3,(H,34,43);2-3,6,8-11,16,20,26,29-30,39-40H,4-5,7,12-15,17-19H2,1H3,(H,33,41);5-6,8-11,16,20,27,29-30,37-38H,3-4,7,12-15,17-19H2,1-2H3,(H,33,39);5-6,8-11,14,18,25,27-28,35-36H,7,12-13,15-17H2,1-4H3,(H,31,37);2-11,19,25-26,34-35H,12-18H2,1H3,(H,30,36);1-9,17,23-24,32-33H,10-16H2,(H,28,34);1-6,8-11,17,21,23-24,30-31H,7,12-16H2,(H,27,32);4-5,10,12,15,17-18,28-29H,3,6-9,11H2,1-2H3,(H,22,30)(H,23,24,27)/t27?,30-,31-;26?,29-,30-;27?,29-,30-;25?,27-,28-;25-,26-;23-,24-;21?,23-,24-;15-,17-,18-/m11111111/s1.

What are the key properties of (2R,3R)-4-(4-acetyl-4-phenylpiperidin-1-yl)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-4-[(2R)-2-[2-[[2-(dimethylamino)acetyl]amino]-1,3-thiazol-4-yl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-[2-[3-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxo-4-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide?

(2R,3R)-4-(4-acetyl-4-phenylpiperidin-1-yl)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-4-[(2R)-2-[2-[[2-(dimethylamino)acetyl]amino]-1,3-thiazol-4-yl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-[2-[3-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxo-4-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide has a molecular weight of 4402.01 g/mol, XLogP of 19.52, 78 rotatable bonds, 25 hydrogen bond donors, and 62 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R)-4-(4-acetyl-4-phenylpiperidin-1-yl)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-4-[(2R)-2-[2-[[2-(dimethylamino)acetyl]amino]-1,3-thiazol-4-yl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-[2-[3-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxo-4-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide is sourced from PubChem (CID 159448506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).