(2R,3R)-4-[(2R)-2-(2-amino-1,3-thiazol-4-yl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[5-[[2-(trifluoromethyl)-1H-isoindol-2-ium-1-yl]methyl]thiophen-2-yl]methyl]butanamide;(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;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,5-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,6-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-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

C144H164F3N26O22S5+ — CID 160646660

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)-1H-isoindol-2-ium-1-yl]methyl]thiophen-2-yl]methyl]butanamide;(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;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,5-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,6-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-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)-1H-isoindol-2-ium-1-yl]methyl]thiophen-2-yl]methyl]butanamide;(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;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,5-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,6-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-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 160646660) has the molecular formula C144H164F3N26O22S5+ and a molecular weight of 2828.38 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)-1H-isoindol-2-ium-1-yl]methyl]thiophen-2-yl]methyl]butanamide;(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;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,5-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,6-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-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)-1H-isoindol-2-ium-1-yl]methyl]thiophen-2-yl]methyl]butanamide;(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;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,5-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,6-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-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: 160646660
• Molecular Formula: C144H164F3N26O22S5+
• Molecular Weight: 2828.38 g/mol
• Exact Mass: 2826.11
• 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)-1H-isoindol-2-ium-1-yl]methyl]thiophen-2-yl]methyl]butanamide;(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;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,5-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,6-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-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.Cc1ccc2c(c1)nc(C)n2Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(N(C)C)c2)n1.Cc1ccc2nc(C)n(Cc3csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N4CCCC4c4cccc(N(C)C)c4)n3)c2c1.Cc1nc2ccccc2n1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(N(C)C)c2)n1.Nc1nc([C@H]2CCCN2C(=O)[C@H](O)[C@@H](O)C(=O)NCc2ccc(CC3c4ccccc4C=[N+]3C(F)(F)F)s2)cs1
• InChI: InChI=1S/2C30H36N6O4S.C29H34N6O4S.C29H31N3O6.C26H26F3N5O4S2/c1-18-10-11-25-23(13-18)32-19(2)36(25)16-21-17-41-26(33-21)15-31-29(39)27(37)28(38)30(40)35-12-6-9-24(35)20-7-5-8-22(14-20)34(3)4;1-18-10-11-23-25(13-18)36(19(2)32-23)16-21-17-41-26(33-21)15-31-29(39)27(37)28(38)30(40)35-12-6-9-24(35)20-7-5-8-22(14-20)34(3)4;1-18-31-22-10-4-5-11-24(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;27-26(28,29)34-12-14-4-1-2-5-17(14)20(34)10-15-7-8-16(40-15)11-31-23(37)21(35)22(36)24(38)33-9-3-6-19(33)18-13-39-25(30)32-18/h2*5,7-8,10-11,13-14,17,24,27-28,37-38H,6,9,12,15-16H2,1-4H3,(H,31,39);4-6,8-11,14,17,23,26-27,36-37H,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);1-2,4-5,7-8,12-13,19-22,35-36H,3,6,9-11H2,(H2-,30,31,32,37)/p+1/t2*24?,27-,28-;23?,26-,27-;24-,25-,26-;19-,20?,21-,22-/m11111/s1
• InChIKey: UXLYHAWHDGCPTM-WGEDTWPRSA-O
• XLogP: 13.83
• TPSA: 632.31 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 42
• Rotatable Bonds: 44
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2828.38
LogP ≤ 5	13.83
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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)-1H-isoindol-2-ium-1-yl]methyl]thiophen-2-yl]methyl]butanamide;(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;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,5-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,6-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-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)-1H-isoindol-2-ium-1-yl]methyl]thiophen-2-yl]methyl]butanamide;(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;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,5-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,6-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-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 160646660) 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)-1H-isoindol-2-ium-1-yl]methyl]thiophen-2-yl]methyl]butanamide;(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;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,5-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,6-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-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)-1H-isoindol-2-ium-1-yl]methyl]thiophen-2-yl]methyl]butanamide;(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;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,5-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,6-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-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)-1H-isoindol-2-ium-1-yl]methyl]thiophen-2-yl]methyl]butanamide;(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;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,5-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,6-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-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.Cc1ccc2c(c1)nc(C)n2Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(N(C)C)c2)n1.Cc1ccc2nc(C)n(Cc3csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N4CCCC4c4cccc(N(C)C)c4)n3)c2c1.Cc1nc2ccccc2n1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(N(C)C)c2)n1.Nc1nc([C@H]2CCCN2C(=O)[C@H](O)[C@@H](O)C(=O)NCc2ccc(CC3c4ccccc4C=[N+]3C(F)(F)F)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)-1H-isoindol-2-ium-1-yl]methyl]thiophen-2-yl]methyl]butanamide;(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;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,5-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,6-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-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 UXLYHAWHDGCPTM-WGEDTWPRSA-O. The full InChI is InChI=1S/2C30H36N6O4S.C29H34N6O4S.C29H31N3O6.C26H26F3N5O4S2/c1-18-10-11-25-23(13-18)32-19(2)36(25)16-21-17-41-26(33-21)15-31-29(39)27(37)28(38)30(40)35-12-6-9-24(35)20-7-5-8-22(14-20)34(3)4;1-18-10-11-23-25(13-18)36(19(2)32-23)16-21-17-41-26(33-21)15-31-29(39)27(37)28(38)30(40)35-12-6-9-24(35)20-7-5-8-22(14-20)34(3)4;1-18-31-22-10-4-5-11-24(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;27-26(28,29)34-12-14-4-1-2-5-17(14)20(34)10-15-7-8-16(40-15)11-31-23(37)21(35)22(36)24(38)33-9-3-6-19(33)18-13-39-25(30)32-18/h2*5,7-8,10-11,13-14,17,24,27-28,37-38H,6,9,12,15-16H2,1-4H3,(H,31,39);4-6,8-11,14,17,23,26-27,36-37H,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);1-2,4-5,7-8,12-13,19-22,35-36H,3,6,9-11H2,(H2-,30,31,32,37)/p+1/t2*24?,27-,28-;23?,26-,27-;24-,25-,26-;19-,20?,21-,22-/m11111/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)-1H-isoindol-2-ium-1-yl]methyl]thiophen-2-yl]methyl]butanamide;(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;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,5-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,6-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-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)-1H-isoindol-2-ium-1-yl]methyl]thiophen-2-yl]methyl]butanamide;(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;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,5-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,6-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-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 2828.38 g/mol, XLogP of 13.83, 44 rotatable bonds, 16 hydrogen bond donors, and 42 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)-1H-isoindol-2-ium-1-yl]methyl]thiophen-2-yl]methyl]butanamide;(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;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,5-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,6-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-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 160646660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).