(2R,3R)-4-(5-chloro-1,3-dihydroisoindol-2-yl)-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-(2-oxo-3H-pyridin-3-yl)phenyl]ethyl]butanamide;(2R,3R)-N-[(1R)-1-[4-(2-cyanothiophen-3-yl)phenyl]ethyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-N-[[4-(2-cyanothiophen-3-yl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide

C133H135Cl2FN16O21S4 — CID 158518174

IUPAC(2R,3R)-4-(5-chloro-1,3-dihydroisoindol-2-yl)-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-(2-oxo-3H-pyridin-3-yl)phenyl]ethyl]butanamide;(2R,3R)-N-[(1R)-1-[4-(2-cyanothiophen-3-yl)phenyl]ethyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-N-[[4-(2-cyanothiophen-3-yl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide
SMILESC[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1)c1ccc(C2C=CC=NC2=O)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1)c1ccc(-c2ccsc2C#N)cc1.Cc1cccc(C)c1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccc(Cl)cc3C2)n1.Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2ccc(F)cc2)s1.N#Cc1sccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C28H29FN4O4S.C27H28ClN3O5.C27H27N3O4S.C26H25N3O4S.C25H26ClN3O4S/c1-17-31-22-5-2-3-6-24(22)33(17)16-21-13-12-20(38-21)15-30-27(36)25(34)26(35)28(37)32-14-4-7-23(32)18-8-10-19(29)11-9-18;1-16(17-9-11-18(12-10-17)21-7-3-13-29-25(21)34)30-26(35)23(32)24(33)27(36)31-14-4-8-22(31)19-5-2-6-20(28)15-19;1-17(18-9-11-19(12-10-18)21-13-15-35-23(21)16-28)29-26(33)24(31)25(32)27(34)30-14-5-8-22(30)20-6-3-2-4-7-20;27-15-22-20(12-14-34-22)18-10-8-17(9-11-18)16-28-25(32)23(30)24(31)26(33)29-13-4-7-21(29)19-5-2-1-3-6-19;1-14-4-3-5-15(2)20(14)9-19-13-34-21(28-19)10-27-24(32)22(30)23(31)25(33)29-11-16-6-7-18(26)8-17(16)12-29/h2-3,5-6,8-13,23,25-26,34-35H,4,7,14-16H2,1H3,(H,30,36);2-3,5-7,9-13,15-16,21-24,32-33H,4,8,14H2,1H3,(H,30,35);2-4,6-7,9-13,15,17,22,24-25,31-32H,5,8,14H2,1H3,(H,29,33);1-3,5-6,8-12,14,21,23-24,30-31H,4,7,13,16H2,(H,28,32);3-8,13,22-23,30-31H,9-12H2,1-2H3,(H,27,32)/t23?,25-,26-;16-,21?,22-,23-,24-;17-,22-,24-,25-;21-,23-,24-;22-,23-/m11111/s1
InChIKeyHLWRDTMESMXFJG-APHTYZFGSA-N
MW2511.81 g/mol
LogP15.57
Rot. Bonds36

About (2R,3R)-4-(5-chloro-1,3-dihydroisoindol-2-yl)-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-(2-oxo-3H-pyridin-3-yl)phenyl]ethyl]butanamide;(2R,3R)-N-[(1R)-1-[4-(2-cyanothiophen-3-yl)phenyl]ethyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-N-[[4-(2-cyanothiophen-3-yl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide

(2R,3R)-4-(5-chloro-1,3-dihydroisoindol-2-yl)-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-(2-oxo-3H-pyridin-3-yl)phenyl]ethyl]butanamide;(2R,3R)-N-[(1R)-1-[4-(2-cyanothiophen-3-yl)phenyl]ethyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-N-[[4-(2-cyanothiophen-3-yl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide (PubChem CID 158518174) has the molecular formula C133H135Cl2FN16O21S4 and a molecular weight of 2511.81 g/mol. Its IUPAC name is (2R,3R)-4-(5-chloro-1,3-dihydroisoindol-2-yl)-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-(2-oxo-3H-pyridin-3-yl)phenyl]ethyl]butanamide;(2R,3R)-N-[(1R)-1-[4-(2-cyanothiophen-3-yl)phenyl]ethyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-N-[[4-(2-cyanothiophen-3-yl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide.

Molecular Properties

Compound Name(2R,3R)-4-(5-chloro-1,3-dihydroisoindol-2-yl)-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-(2-oxo-3H-pyridin-3-yl)phenyl]ethyl]butanamide;(2R,3R)-N-[(1R)-1-[4-(2-cyanothiophen-3-yl)phenyl]ethyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-N-[[4-(2-cyanothiophen-3-yl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide
PubChem CID158518174
Molecular FormulaC133H135Cl2FN16O21S4
Molecular Weight2511.81 g/mol
Exact Mass2508.82
IUPAC Name(2R,3R)-4-(5-chloro-1,3-dihydroisoindol-2-yl)-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-(2-oxo-3H-pyridin-3-yl)phenyl]ethyl]butanamide;(2R,3R)-N-[(1R)-1-[4-(2-cyanothiophen-3-yl)phenyl]ethyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-N-[[4-(2-cyanothiophen-3-yl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide
SMILESC[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1)c1ccc(C2C=CC=NC2=O)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1)c1ccc(-c2ccsc2C#N)cc1.Cc1cccc(C)c1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccc(Cl)cc3C2)n1.Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2ccc(F)cc2)s1.N#Cc1sccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C28H29FN4O4S.C27H28ClN3O5.C27H27N3O4S.C26H25N3O4S.C25H26ClN3O4S/c1-17-31-22-5-2-3-6-24(22)33(17)16-21-13-12-20(38-21)15-30-27(36)25(34)26(35)28(37)32-14-4-7-23(32)18-8-10-19(29)11-9-18;1-16(17-9-11-18(12-10-17)21-7-3-13-29-25(21)34)30-26(35)23(32)24(33)27(36)31-14-4-8-22(31)19-5-2-6-20(28)15-19;1-17(18-9-11-19(12-10-18)21-13-15-35-23(21)16-28)29-26(33)24(31)25(32)27(34)30-14-5-8-22(30)20-6-3-2-4-7-20;27-15-22-20(12-14-34-22)18-10-8-17(9-11-18)16-28-25(32)23(30)24(31)26(33)29-13-4-7-21(29)19-5-2-1-3-6-19;1-14-4-3-5-15(2)20(14)9-19-13-34-21(28-19)10-27-24(32)22(30)23(31)25(33)29-11-16-6-7-18(26)8-17(16)12-29/h2-3,5-6,8-13,23,25-26,34-35H,4,7,14-16H2,1H3,(H,30,36);2-3,5-7,9-13,15-16,21-24,32-33H,4,8,14H2,1H3,(H,30,35);2-4,6-7,9-13,15,17,22,24-25,31-32H,5,8,14H2,1H3,(H,29,33);1-3,5-6,8-12,14,21,23-24,30-31H,4,7,13,16H2,(H,28,32);3-8,13,22-23,30-31H,9-12H2,1-2H3,(H,27,32)/t23?,25-,26-;16-,21?,22-,23-,24-;17-,22-,24-,25-;21-,23-,24-;22-,23-/m11111/s1
InChIKeyHLWRDTMESMXFJG-APHTYZFGSA-N
XLogP15.57
TPSA557.07 Ų
H-Bond Donors15
H-Bond Acceptors30
Rotatable Bonds36
Heavy Atoms177
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002511.81
LogP ≤ 515.57
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1030

Analyze (2R,3R)-4-(5-chloro-1,3-dihydroisoindol-2-yl)-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-(2-oxo-3H-pyridin-3-yl)phenyl]ethyl]butanamide;(2R,3R)-N-[(1R)-1-[4-(2-cyanothiophen-3-yl)phenyl]ethyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-N-[[4-(2-cyanothiophen-3-yl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-4-(5-chloro-1,3-dihydroisoindol-2-yl)-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-(2-oxo-3H-pyridin-3-yl)phenyl]ethyl]butanamide;(2R,3R)-N-[(1R)-1-[4-(2-cyanothiophen-3-yl)phenyl]ethyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-N-[[4-(2-cyanothiophen-3-yl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide?
The IUPAC name of (2R,3R)-4-(5-chloro-1,3-dihydroisoindol-2-yl)-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-(2-oxo-3H-pyridin-3-yl)phenyl]ethyl]butanamide;(2R,3R)-N-[(1R)-1-[4-(2-cyanothiophen-3-yl)phenyl]ethyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-N-[[4-(2-cyanothiophen-3-yl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide (CID 158518174) is (2R,3R)-4-(5-chloro-1,3-dihydroisoindol-2-yl)-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-(2-oxo-3H-pyridin-3-yl)phenyl]ethyl]butanamide;(2R,3R)-N-[(1R)-1-[4-(2-cyanothiophen-3-yl)phenyl]ethyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-N-[[4-(2-cyanothiophen-3-yl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide.
What is the SMILES notation for (2R,3R)-4-(5-chloro-1,3-dihydroisoindol-2-yl)-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-(2-oxo-3H-pyridin-3-yl)phenyl]ethyl]butanamide;(2R,3R)-N-[(1R)-1-[4-(2-cyanothiophen-3-yl)phenyl]ethyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-N-[[4-(2-cyanothiophen-3-yl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide?
The canonical SMILES for (2R,3R)-4-(5-chloro-1,3-dihydroisoindol-2-yl)-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-(2-oxo-3H-pyridin-3-yl)phenyl]ethyl]butanamide;(2R,3R)-N-[(1R)-1-[4-(2-cyanothiophen-3-yl)phenyl]ethyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-N-[[4-(2-cyanothiophen-3-yl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide is C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1)c1ccc(C2C=CC=NC2=O)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1)c1ccc(-c2ccsc2C#N)cc1.Cc1cccc(C)c1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccc(Cl)cc3C2)n1.Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2ccc(F)cc2)s1.N#Cc1sccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (2R,3R)-4-(5-chloro-1,3-dihydroisoindol-2-yl)-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-(2-oxo-3H-pyridin-3-yl)phenyl]ethyl]butanamide;(2R,3R)-N-[(1R)-1-[4-(2-cyanothiophen-3-yl)phenyl]ethyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-N-[[4-(2-cyanothiophen-3-yl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide?
The InChIKey is HLWRDTMESMXFJG-APHTYZFGSA-N. The full InChI is InChI=1S/C28H29FN4O4S.C27H28ClN3O5.C27H27N3O4S.C26H25N3O4S.C25H26ClN3O4S/c1-17-31-22-5-2-3-6-24(22)33(17)16-21-13-12-20(38-21)15-30-27(36)25(34)26(35)28(37)32-14-4-7-23(32)18-8-10-19(29)11-9-18;1-16(17-9-11-18(12-10-17)21-7-3-13-29-25(21)34)30-26(35)23(32)24(33)27(36)31-14-4-8-22(31)19-5-2-6-20(28)15-19;1-17(18-9-11-19(12-10-18)21-13-15-35-23(21)16-28)29-26(33)24(31)25(32)27(34)30-14-5-8-22(30)20-6-3-2-4-7-20;27-15-22-20(12-14-34-22)18-10-8-17(9-11-18)16-28-25(32)23(30)24(31)26(33)29-13-4-7-21(29)19-5-2-1-3-6-19;1-14-4-3-5-15(2)20(14)9-19-13-34-21(28-19)10-27-24(32)22(30)23(31)25(33)29-11-16-6-7-18(26)8-17(16)12-29/h2-3,5-6,8-13,23,25-26,34-35H,4,7,14-16H2,1H3,(H,30,36);2-3,5-7,9-13,15-16,21-24,32-33H,4,8,14H2,1H3,(H,30,35);2-4,6-7,9-13,15,17,22,24-25,31-32H,5,8,14H2,1H3,(H,29,33);1-3,5-6,8-12,14,21,23-24,30-31H,4,7,13,16H2,(H,28,32);3-8,13,22-23,30-31H,9-12H2,1-2H3,(H,27,32)/t23?,25-,26-;16-,21?,22-,23-,24-;17-,22-,24-,25-;21-,23-,24-;22-,23-/m11111/s1.
What are the key properties of (2R,3R)-4-(5-chloro-1,3-dihydroisoindol-2-yl)-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-(2-oxo-3H-pyridin-3-yl)phenyl]ethyl]butanamide;(2R,3R)-N-[(1R)-1-[4-(2-cyanothiophen-3-yl)phenyl]ethyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-N-[[4-(2-cyanothiophen-3-yl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide?
(2R,3R)-4-(5-chloro-1,3-dihydroisoindol-2-yl)-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-(2-oxo-3H-pyridin-3-yl)phenyl]ethyl]butanamide;(2R,3R)-N-[(1R)-1-[4-(2-cyanothiophen-3-yl)phenyl]ethyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-N-[[4-(2-cyanothiophen-3-yl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide has a molecular weight of 2511.81 g/mol, XLogP of 15.57, 36 rotatable bonds, 15 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-4-(5-chloro-1,3-dihydroisoindol-2-yl)-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-(2-oxo-3H-pyridin-3-yl)phenyl]ethyl]butanamide;(2R,3R)-N-[(1R)-1-[4-(2-cyanothiophen-3-yl)phenyl]ethyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-N-[[4-(2-cyanothiophen-3-yl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide is sourced from PubChem (CID 158518174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).