(2R,3R)-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-methyl-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[1-[5-(2-isocyanophenyl)-2-pyridinyl]ethyl]-4-oxobutanamide;2-[6-[1-[[(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanoyl]amino]ethyl]-3-pyridinyl]benzamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[1-[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[1-[5-(2-ethoxyphenyl)-2-pyridinyl]ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(1-ethyl-6-oxo-2-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-(3-cyano-4-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;4-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]pyridine-3-carboxamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[[4-(3-pyridin-4-ylthiophen-2-yl)phenyl]methyl]butanamide

C274H279Cl6F4N35O45S2 — CID 157280575

About (2R,3R)-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-methyl-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[1-[5-(2-isocyanophenyl)-2-pyridinyl]ethyl]-4-oxobutanamide;2-[6-[1-[[(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanoyl]amino]ethyl]-3-pyridinyl]benzamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[1-[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[1-[5-(2-ethoxyphenyl)-2-pyridinyl]ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(1-ethyl-6-oxo-2-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-(3-cyano-4-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;4-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]pyridine-3-carboxamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[[4-(3-pyridin-4-ylthiophen-2-yl)phenyl]methyl]butanamide

(2R,3R)-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-methyl-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[1-[5-(2-isocyanophenyl)-2-pyridinyl]ethyl]-4-oxobutanamide;2-[6-[1-[[(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanoyl]amino]ethyl]-3-pyridinyl]benzamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[1-[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[1-[5-(2-ethoxyphenyl)-2-pyridinyl]ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(1-ethyl-6-oxo-2-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-(3-cyano-4-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;4-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]pyridine-3-carboxamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[[4-(3-pyridin-4-ylthiophen-2-yl)phenyl]methyl]butanamide (PubChem CID 157280575) has the molecular formula C274H279Cl6F4N35O45S2 and a molecular weight of 5135.29 g/mol. Its IUPAC name is (2R,3R)-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-methyl-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[1-[5-(2-isocyanophenyl)-2-pyridinyl]ethyl]-4-oxobutanamide;2-[6-[1-[[(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanoyl]amino]ethyl]-3-pyridinyl]benzamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[1-[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[1-[5-(2-ethoxyphenyl)-2-pyridinyl]ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(1-ethyl-6-oxo-2-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-(3-cyano-4-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;4-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]pyridine-3-carboxamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[[4-(3-pyridin-4-ylthiophen-2-yl)phenyl]methyl]butanamide.

Molecular Properties

• Compound Name: (2R,3R)-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-methyl-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[1-[5-(2-isocyanophenyl)-2-pyridinyl]ethyl]-4-oxobutanamide;2-[6-[1-[[(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanoyl]amino]ethyl]-3-pyridinyl]benzamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[1-[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[1-[5-(2-ethoxyphenyl)-2-pyridinyl]ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(1-ethyl-6-oxo-2-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-(3-cyano-4-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;4-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]pyridine-3-carboxamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[[4-(3-pyridin-4-ylthiophen-2-yl)phenyl]methyl]butanamide
• PubChem CID: 157280575
• Molecular Formula: C274H279Cl6F4N35O45S2
• Molecular Weight: 5135.29 g/mol
• Exact Mass: 5128.81
• IUPAC Name: (2R,3R)-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-methyl-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[1-[5-(2-isocyanophenyl)-2-pyridinyl]ethyl]-4-oxobutanamide;2-[6-[1-[[(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanoyl]amino]ethyl]-3-pyridinyl]benzamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[1-[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[1-[5-(2-ethoxyphenyl)-2-pyridinyl]ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(1-ethyl-6-oxo-2-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-(3-cyano-4-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;4-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]pyridine-3-carboxamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[[4-(3-pyridin-4-ylthiophen-2-yl)phenyl]methyl]butanamide
• SMILES: CC(NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1)c1ccc(-c2ccccc2C(N)=O)cn1.CC(NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1)c1ccc(-c2ccccc2OC(F)(F)F)cn1.CCOc1ccccc1-c1ccc(C(C)NC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)nc1.CCn1c(-c2ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N3CCC[C@@H]3c3cccc(Cl)c3)cc2)cccc1=O.CN(Cc1cc(Cc2ccccc2Cl)cs1)C(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.N#Cc1cc(F)ccc1N1CCC(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3cccnc3C2)CC1.N#Cc1cnccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2ccccc2)cc1.NC(=O)c1cnccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2ccccc2)cc1.O=C(NCc1ccc(-c2sccc2-c2ccncc2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1ccccc1.[C-]#[N+]c1ccccc1-c1ccc(C(C)NC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)nc1
• InChI: InChI=1S/C30H29N3O4S.C29H32ClN3O5.C28H27ClF3N3O5.C28H29ClN4O5.C28H27ClN4O4.C28H30ClN3O5.C27H28N4O5.C27H26N4O4.C25H25ClN2O4S.C24H26FN5O4/c34-26(27(35)30(37)33-17-4-7-25(33)22-5-2-1-3-6-22)29(36)32-19-20-8-10-23(11-9-20)28-24(14-18-38-28)21-12-15-31-16-13-21;1-3-38-25-12-5-4-10-22(25)20-13-14-23(31-17-20)18(2)32-28(36)26(34)27(35)29(37)33-15-7-11-24(33)19-8-6-9-21(30)16-19;1-16(21-12-11-18(15-33-21)20-8-2-3-10-23(20)40-28(30,31)32)34-26(38)24(36)25(37)27(39)35-13-5-9-22(35)17-6-4-7-19(29)14-17;1-16(22-12-11-18(15-31-22)20-8-2-3-9-21(20)26(30)36)32-27(37)24(34)25(35)28(38)33-13-5-10-23(33)17-6-4-7-19(29)14-17;1-17(22-13-12-19(16-31-22)21-9-3-4-10-23(21)30-2)32-27(36)25(34)26(35)28(37)33-14-6-11-24(33)18-7-5-8-20(29)15-18;1-2-31-22(8-4-10-24(31)33)19-13-11-18(12-14-19)17-30-27(36)25(34)26(35)28(37)32-15-5-9-23(32)20-6-3-7-21(29)16-20;28-25(34)21-16-29-13-12-20(21)18-10-8-17(9-11-18)15-30-26(35)23(32)24(33)27(36)31-14-4-7-22(31)19-5-2-1-3-6-19;28-15-21-17-29-13-12-22(21)19-10-8-18(9-11-19)16-30-26(34)24(32)25(33)27(35)31-14-4-7-23(31)20-5-2-1-3-6-20;1-27(14-20-11-16(15-33-20)10-17-6-4-5-9-21(17)26)24(31)22(29)23(30)25(32)28-12-18-7-2-3-8-19(18)13-28;25-18-3-4-20(17(10-18)11-26)29-8-5-15(6-9-29)12-28-23(33)21(31)22(32)24(34)30-13-16-2-1-7-27-19(16)14-30/h1-3,5-6,8-16,18,25-27,34-35H,4,7,17,19H2,(H,32,36);4-6,8-10,12-14,16-18,24,26-27,34-35H,3,7,11,15H2,1-2H3,(H,32,36);2-4,6-8,10-12,14-16,22,24-25,36-37H,5,9,13H2,1H3,(H,34,38);2-4,6-9,11-12,14-16,23-25,34-35H,5,10,13H2,1H3,(H2,30,36)(H,32,37);3-5,7-10,12-13,15-17,24-26,34-35H,6,11,14H2,1H3,(H,32,36);3-4,6-8,10-14,16,23,25-26,34-35H,2,5,9,15,17H2,1H3,(H,30,36);1-3,5-6,8-13,16,22-24,32-33H,4,7,14-15H2,(H2,28,34)(H,30,35);1-3,5-6,8-13,17,23-25,32-33H,4,7,14,16H2,(H,30,34);2-9,11,15,22-23,29-30H,10,12-14H2,1H3;1-4,7,10,15,21-22,31-32H,5-6,8-9,12-14H2,(H,28,33)/t25?,26-,27-;18?,24-,26-,27-;16?,22-,24-,25-;16?,23-,24-,25-;17?,24-,25-,26-;23-,25-,26-;22?,23-,24-;23?,24-,25-;22-,23-;21-,22-/m1111111111/s1
• InChIKey: AZPQSTKAIJLDGZ-TZNPJDGOSA-N
• XLogP: 30.45
• TPSA: 1174.85 Ų
• H-Bond Donors: 31
• H-Bond Acceptors: 59
• Rotatable Bonds: 76
• Heavy Atoms: 366
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5135.29
LogP ≤ 5	30.45
H-Bond Donors ≤ 5	31
H-Bond Acceptors ≤ 10	59

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-methyl-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[1-[5-(2-isocyanophenyl)-2-pyridinyl]ethyl]-4-oxobutanamide;2-[6-[1-[[(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanoyl]amino]ethyl]-3-pyridinyl]benzamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[1-[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[1-[5-(2-ethoxyphenyl)-2-pyridinyl]ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(1-ethyl-6-oxo-2-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-(3-cyano-4-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;4-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]pyridine-3-carboxamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[[4-(3-pyridin-4-ylthiophen-2-yl)phenyl]methyl]butanamide?

The IUPAC name of (2R,3R)-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-methyl-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[1-[5-(2-isocyanophenyl)-2-pyridinyl]ethyl]-4-oxobutanamide;2-[6-[1-[[(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanoyl]amino]ethyl]-3-pyridinyl]benzamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[1-[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[1-[5-(2-ethoxyphenyl)-2-pyridinyl]ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(1-ethyl-6-oxo-2-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-(3-cyano-4-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;4-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]pyridine-3-carboxamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[[4-(3-pyridin-4-ylthiophen-2-yl)phenyl]methyl]butanamide (CID 157280575) is (2R,3R)-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-methyl-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[1-[5-(2-isocyanophenyl)-2-pyridinyl]ethyl]-4-oxobutanamide;2-[6-[1-[[(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanoyl]amino]ethyl]-3-pyridinyl]benzamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[1-[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[1-[5-(2-ethoxyphenyl)-2-pyridinyl]ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(1-ethyl-6-oxo-2-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-(3-cyano-4-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;4-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]pyridine-3-carboxamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[[4-(3-pyridin-4-ylthiophen-2-yl)phenyl]methyl]butanamide.

What is the SMILES notation for (2R,3R)-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-methyl-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[1-[5-(2-isocyanophenyl)-2-pyridinyl]ethyl]-4-oxobutanamide;2-[6-[1-[[(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanoyl]amino]ethyl]-3-pyridinyl]benzamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[1-[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[1-[5-(2-ethoxyphenyl)-2-pyridinyl]ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(1-ethyl-6-oxo-2-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-(3-cyano-4-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;4-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]pyridine-3-carboxamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[[4-(3-pyridin-4-ylthiophen-2-yl)phenyl]methyl]butanamide?

The canonical SMILES for (2R,3R)-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-methyl-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[1-[5-(2-isocyanophenyl)-2-pyridinyl]ethyl]-4-oxobutanamide;2-[6-[1-[[(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanoyl]amino]ethyl]-3-pyridinyl]benzamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[1-[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[1-[5-(2-ethoxyphenyl)-2-pyridinyl]ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(1-ethyl-6-oxo-2-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-(3-cyano-4-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;4-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]pyridine-3-carboxamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[[4-(3-pyridin-4-ylthiophen-2-yl)phenyl]methyl]butanamide is CC(NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1)c1ccc(-c2ccccc2C(N)=O)cn1.CC(NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1)c1ccc(-c2ccccc2OC(F)(F)F)cn1.CCOc1ccccc1-c1ccc(C(C)NC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)nc1.CCn1c(-c2ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N3CCC[C@@H]3c3cccc(Cl)c3)cc2)cccc1=O.CN(Cc1cc(Cc2ccccc2Cl)cs1)C(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.N#Cc1cc(F)ccc1N1CCC(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3cccnc3C2)CC1.N#Cc1cnccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2ccccc2)cc1.NC(=O)c1cnccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2ccccc2)cc1.O=C(NCc1ccc(-c2sccc2-c2ccncc2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1ccccc1.[C-]#[N+]c1ccccc1-c1ccc(C(C)NC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)nc1.

What is the InChIKey of (2R,3R)-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-methyl-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[1-[5-(2-isocyanophenyl)-2-pyridinyl]ethyl]-4-oxobutanamide;2-[6-[1-[[(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanoyl]amino]ethyl]-3-pyridinyl]benzamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[1-[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[1-[5-(2-ethoxyphenyl)-2-pyridinyl]ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(1-ethyl-6-oxo-2-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-(3-cyano-4-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;4-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]pyridine-3-carboxamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[[4-(3-pyridin-4-ylthiophen-2-yl)phenyl]methyl]butanamide?

The InChIKey is AZPQSTKAIJLDGZ-TZNPJDGOSA-N. The full InChI is InChI=1S/C30H29N3O4S.C29H32ClN3O5.C28H27ClF3N3O5.C28H29ClN4O5.C28H27ClN4O4.C28H30ClN3O5.C27H28N4O5.C27H26N4O4.C25H25ClN2O4S.C24H26FN5O4/c34-26(27(35)30(37)33-17-4-7-25(33)22-5-2-1-3-6-22)29(36)32-19-20-8-10-23(11-9-20)28-24(14-18-38-28)21-12-15-31-16-13-21;1-3-38-25-12-5-4-10-22(25)20-13-14-23(31-17-20)18(2)32-28(36)26(34)27(35)29(37)33-15-7-11-24(33)19-8-6-9-21(30)16-19;1-16(21-12-11-18(15-33-21)20-8-2-3-10-23(20)40-28(30,31)32)34-26(38)24(36)25(37)27(39)35-13-5-9-22(35)17-6-4-7-19(29)14-17;1-16(22-12-11-18(15-31-22)20-8-2-3-9-21(20)26(30)36)32-27(37)24(34)25(35)28(38)33-13-5-10-23(33)17-6-4-7-19(29)14-17;1-17(22-13-12-19(16-31-22)21-9-3-4-10-23(21)30-2)32-27(36)25(34)26(35)28(37)33-14-6-11-24(33)18-7-5-8-20(29)15-18;1-2-31-22(8-4-10-24(31)33)19-13-11-18(12-14-19)17-30-27(36)25(34)26(35)28(37)32-15-5-9-23(32)20-6-3-7-21(29)16-20;28-25(34)21-16-29-13-12-20(21)18-10-8-17(9-11-18)15-30-26(35)23(32)24(33)27(36)31-14-4-7-22(31)19-5-2-1-3-6-19;28-15-21-17-29-13-12-22(21)19-10-8-18(9-11-19)16-30-26(34)24(32)25(33)27(35)31-14-4-7-23(31)20-5-2-1-3-6-20;1-27(14-20-11-16(15-33-20)10-17-6-4-5-9-21(17)26)24(31)22(29)23(30)25(32)28-12-18-7-2-3-8-19(18)13-28;25-18-3-4-20(17(10-18)11-26)29-8-5-15(6-9-29)12-28-23(33)21(31)22(32)24(34)30-13-16-2-1-7-27-19(16)14-30/h1-3,5-6,8-16,18,25-27,34-35H,4,7,17,19H2,(H,32,36);4-6,8-10,12-14,16-18,24,26-27,34-35H,3,7,11,15H2,1-2H3,(H,32,36);2-4,6-8,10-12,14-16,22,24-25,36-37H,5,9,13H2,1H3,(H,34,38);2-4,6-9,11-12,14-16,23-25,34-35H,5,10,13H2,1H3,(H2,30,36)(H,32,37);3-5,7-10,12-13,15-17,24-26,34-35H,6,11,14H2,1H3,(H,32,36);3-4,6-8,10-14,16,23,25-26,34-35H,2,5,9,15,17H2,1H3,(H,30,36);1-3,5-6,8-13,16,22-24,32-33H,4,7,14-15H2,(H2,28,34)(H,30,35);1-3,5-6,8-13,17,23-25,32-33H,4,7,14,16H2,(H,30,34);2-9,11,15,22-23,29-30H,10,12-14H2,1H3;1-4,7,10,15,21-22,31-32H,5-6,8-9,12-14H2,(H,28,33)/t25?,26-,27-;18?,24-,26-,27-;16?,22-,24-,25-;16?,23-,24-,25-;17?,24-,25-,26-;23-,25-,26-;22?,23-,24-;23?,24-,25-;22-,23-;21-,22-/m1111111111/s1.

What are the key properties of (2R,3R)-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-methyl-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[1-[5-(2-isocyanophenyl)-2-pyridinyl]ethyl]-4-oxobutanamide;2-[6-[1-[[(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanoyl]amino]ethyl]-3-pyridinyl]benzamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[1-[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[1-[5-(2-ethoxyphenyl)-2-pyridinyl]ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(1-ethyl-6-oxo-2-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-(3-cyano-4-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;4-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]pyridine-3-carboxamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[[4-(3-pyridin-4-ylthiophen-2-yl)phenyl]methyl]butanamide?

(2R,3R)-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-methyl-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[1-[5-(2-isocyanophenyl)-2-pyridinyl]ethyl]-4-oxobutanamide;2-[6-[1-[[(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanoyl]amino]ethyl]-3-pyridinyl]benzamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[1-[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[1-[5-(2-ethoxyphenyl)-2-pyridinyl]ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(1-ethyl-6-oxo-2-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-(3-cyano-4-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;4-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]pyridine-3-carboxamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[[4-(3-pyridin-4-ylthiophen-2-yl)phenyl]methyl]butanamide has a molecular weight of 5135.29 g/mol, XLogP of 30.45, 76 rotatable bonds, 31 hydrogen bond donors, and 59 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R)-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-methyl-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[1-[5-(2-isocyanophenyl)-2-pyridinyl]ethyl]-4-oxobutanamide;2-[6-[1-[[(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanoyl]amino]ethyl]-3-pyridinyl]benzamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[1-[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]ethyl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[1-[5-(2-ethoxyphenyl)-2-pyridinyl]ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(1-ethyl-6-oxo-2-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-(3-cyano-4-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;4-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]pyridine-3-carboxamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)-N-[[4-(3-pyridin-4-ylthiophen-2-yl)phenyl]methyl]butanamide is sourced from PubChem (CID 157280575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).