(2R,3R)-4-[(2R)-2-(2-amino-1,3-thiazol-4-yl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]thiophen-2-yl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]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-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-3-yl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide;ethyl 4-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanoyl]amino]methyl]phenyl]pyridine-3-carboxylate

C163H174Cl2F4N26O27S4 — CID 158592282

About (2R,3R)-4-[(2R)-2-(2-amino-1,3-thiazol-4-yl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]thiophen-2-yl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]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-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-3-yl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide;ethyl 4-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanoyl]amino]methyl]phenyl]pyridine-3-carboxylate

(2R,3R)-4-[(2R)-2-(2-amino-1,3-thiazol-4-yl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]thiophen-2-yl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]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-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-3-yl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide;ethyl 4-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanoyl]amino]methyl]phenyl]pyridine-3-carboxylate (PubChem CID 158592282) has the molecular formula C163H174Cl2F4N26O27S4 and a molecular weight of 3204.51 g/mol. Its IUPAC name is (2R,3R)-4-[(2R)-2-(2-amino-1,3-thiazol-4-yl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]thiophen-2-yl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]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-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-3-yl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide;ethyl 4-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanoyl]amino]methyl]phenyl]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: (2R,3R)-4-[(2R)-2-(2-amino-1,3-thiazol-4-yl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]thiophen-2-yl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]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-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-3-yl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide;ethyl 4-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanoyl]amino]methyl]phenyl]pyridine-3-carboxylate
• PubChem CID: 158592282
• Molecular Formula: C163H174Cl2F4N26O27S4
• Molecular Weight: 3204.51 g/mol
• Exact Mass: 3201.12
• IUPAC Name: (2R,3R)-4-[(2R)-2-(2-amino-1,3-thiazol-4-yl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]thiophen-2-yl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]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-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-3-yl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide;ethyl 4-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanoyl]amino]methyl]phenyl]pyridine-3-carboxylate
• SMILES: CCOC(=O)c1cnccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2ccccc2)cc1.COc1ccccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)nc1.Cc1nc2ccccc2n1Cc1cc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)cs1.Cc1nc2ccccc2n1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(N(C)C)c2)n1.N#Cc1cc(F)ccc1N1CCC(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)CC1.Nc1nc([C@H]2CCCN2C(=O)[C@H](O)[C@@H](O)C(=O)NCc2ccc(Cn3c(C(F)(F)F)nc4ccccc43)s2)cs1
• InChI: InChI=1S/C29H34N6O4S.C29H31N3O6.C27H30ClFN4O4.C27H28ClN3O5.C26H26N4O4S.C25H25F3N6O4S2/c1-18-31-22-10-4-5-11-24(22)35(18)16-20-17-40-25(32-20)15-30-28(38)26(36)27(37)29(39)34-13-7-12-23(34)19-8-6-9-21(14-19)33(2)3;1-2-38-29(37)23-18-30-15-14-22(23)20-12-10-19(11-13-20)17-31-27(35)25(33)26(34)28(36)32-16-6-9-24(32)21-7-4-3-5-8-21;28-20-4-1-3-18(13-20)23-5-2-10-33(23)27(37)25(35)24(34)26(36)31-16-17-8-11-32(12-9-17)22-7-6-21(29)14-19(22)15-30;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;1-16-28-21-8-4-5-9-22(21)30(16)14-20-10-17(15-35-20)11-27-25(33)23(31)24(32)26(34)29-12-18-6-2-3-7-19(18)13-29;26-25(27,28)23-31-15-4-1-2-5-17(15)34(23)11-14-8-7-13(40-14)10-30-21(37)19(35)20(36)22(38)33-9-3-6-18(33)16-12-39-24(29)32-16/h4-6,8-11,14,17,23,26-27,36-37H,7,12-13,15-16H2,1-3H3,(H,30,38);3-5,7-8,10-15,18,24-26,33-34H,2,6,9,16-17H2,1H3,(H,31,35);1,3-4,6-7,13-14,17,23-25,34-35H,2,5,8-12,16H2,(H,31,36);2-4,6-8,10-12,14-15,22,24-25,32-33H,5,9,13,16H2,1H3,(H,30,34);2-10,15,23-24,31-32H,11-14H2,1H3,(H,27,33);1-2,4-5,7-8,12,18-20,35-36H,3,6,9-11H2,(H2,29,32)(H,30,37)/t23?,26-,27-;24-,25-,26-;23-,24-,25-;22-,24-,25-;23-,24-;18-,19-,20-/m111111/s1
• InChIKey: HUPBJRCKOBYZRJ-RPPFKDJHSA-N
• XLogP: 16.37
• TPSA: 736.06 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 45
• Rotatable Bonds: 48
• Heavy Atoms: 226
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3204.51
LogP ≤ 5	16.37
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-4-[(2R)-2-(2-amino-1,3-thiazol-4-yl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]thiophen-2-yl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]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-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-3-yl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide;ethyl 4-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanoyl]amino]methyl]phenyl]pyridine-3-carboxylate?

The IUPAC name of (2R,3R)-4-[(2R)-2-(2-amino-1,3-thiazol-4-yl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]thiophen-2-yl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]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-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-3-yl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide;ethyl 4-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanoyl]amino]methyl]phenyl]pyridine-3-carboxylate (CID 158592282) is (2R,3R)-4-[(2R)-2-(2-amino-1,3-thiazol-4-yl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]thiophen-2-yl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]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-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-3-yl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide;ethyl 4-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanoyl]amino]methyl]phenyl]pyridine-3-carboxylate.

What is the SMILES notation for (2R,3R)-4-[(2R)-2-(2-amino-1,3-thiazol-4-yl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]thiophen-2-yl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]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-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-3-yl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide;ethyl 4-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanoyl]amino]methyl]phenyl]pyridine-3-carboxylate?

The canonical SMILES for (2R,3R)-4-[(2R)-2-(2-amino-1,3-thiazol-4-yl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]thiophen-2-yl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]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-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-3-yl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide;ethyl 4-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanoyl]amino]methyl]phenyl]pyridine-3-carboxylate is CCOC(=O)c1cnccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2ccccc2)cc1.COc1ccccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)nc1.Cc1nc2ccccc2n1Cc1cc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)cs1.Cc1nc2ccccc2n1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(N(C)C)c2)n1.N#Cc1cc(F)ccc1N1CCC(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)CC1.Nc1nc([C@H]2CCCN2C(=O)[C@H](O)[C@@H](O)C(=O)NCc2ccc(Cn3c(C(F)(F)F)nc4ccccc43)s2)cs1.

What is the InChIKey of (2R,3R)-4-[(2R)-2-(2-amino-1,3-thiazol-4-yl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]thiophen-2-yl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]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-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-3-yl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide;ethyl 4-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanoyl]amino]methyl]phenyl]pyridine-3-carboxylate?

The InChIKey is HUPBJRCKOBYZRJ-RPPFKDJHSA-N. The full InChI is InChI=1S/C29H34N6O4S.C29H31N3O6.C27H30ClFN4O4.C27H28ClN3O5.C26H26N4O4S.C25H25F3N6O4S2/c1-18-31-22-10-4-5-11-24(22)35(18)16-20-17-40-25(32-20)15-30-28(38)26(36)27(37)29(39)34-13-7-12-23(34)19-8-6-9-21(14-19)33(2)3;1-2-38-29(37)23-18-30-15-14-22(23)20-12-10-19(11-13-20)17-31-27(35)25(33)26(34)28(36)32-16-6-9-24(32)21-7-4-3-5-8-21;28-20-4-1-3-18(13-20)23-5-2-10-33(23)27(37)25(35)24(34)26(36)31-16-17-8-11-32(12-9-17)22-7-6-21(29)14-19(22)15-30;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;1-16-28-21-8-4-5-9-22(21)30(16)14-20-10-17(15-35-20)11-27-25(33)23(31)24(32)26(34)29-12-18-6-2-3-7-19(18)13-29;26-25(27,28)23-31-15-4-1-2-5-17(15)34(23)11-14-8-7-13(40-14)10-30-21(37)19(35)20(36)22(38)33-9-3-6-18(33)16-12-39-24(29)32-16/h4-6,8-11,14,17,23,26-27,36-37H,7,12-13,15-16H2,1-3H3,(H,30,38);3-5,7-8,10-15,18,24-26,33-34H,2,6,9,16-17H2,1H3,(H,31,35);1,3-4,6-7,13-14,17,23-25,34-35H,2,5,8-12,16H2,(H,31,36);2-4,6-8,10-12,14-15,22,24-25,32-33H,5,9,13,16H2,1H3,(H,30,34);2-10,15,23-24,31-32H,11-14H2,1H3,(H,27,33);1-2,4-5,7-8,12,18-20,35-36H,3,6,9-11H2,(H2,29,32)(H,30,37)/t23?,26-,27-;24-,25-,26-;23-,24-,25-;22-,24-,25-;23-,24-;18-,19-,20-/m111111/s1.

What are the key properties of (2R,3R)-4-[(2R)-2-(2-amino-1,3-thiazol-4-yl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]thiophen-2-yl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]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-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-3-yl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide;ethyl 4-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanoyl]amino]methyl]phenyl]pyridine-3-carboxylate?

(2R,3R)-4-[(2R)-2-(2-amino-1,3-thiazol-4-yl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]thiophen-2-yl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]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-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-3-yl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide;ethyl 4-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanoyl]amino]methyl]phenyl]pyridine-3-carboxylate has a molecular weight of 3204.51 g/mol, XLogP of 16.37, 48 rotatable bonds, 19 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R)-4-[(2R)-2-(2-amino-1,3-thiazol-4-yl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]thiophen-2-yl]methyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]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-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-3-yl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide;ethyl 4-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanoyl]amino]methyl]phenyl]pyridine-3-carboxylate is sourced from PubChem (CID 158592282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).