(2R,3R)-N-[[4-(azetidin-1-yl)phenyl]methyl]-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(5-cyclopentylpyrazol-1-yl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-(3-methylpyrazol-1-yl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(5-propan-2-ylpyrazol-1-yl)phenyl]methyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(5-thiophen-2-ylpyrazol-1-yl)phenyl]methyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1R)-1-[4-(3-methylpyrazol-1-yl)phenyl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide;(2R,3R)-2,3-dihydroxy-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-[(1R)-1-[4-(3-methylpyrazol-1-yl)phenyl]ethyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide

C305H338Cl8N48O49S — CID 158791118

IUPAC(2R,3R)-N-[[4-(azetidin-1-yl)phenyl]methyl]-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(5-cyclopentylpyrazol-1-yl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-(3-methylpyrazol-1-yl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(5-propan-2-ylpyrazol-1-yl)phenyl]methyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(5-thiophen-2-ylpyrazol-1-yl)phenyl]methyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1R)-1-[4-(3-methylpyrazol-1-yl)phenyl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide;(2R,3R)-2,3-dihydroxy-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-[(1R)-1-[4-(3-methylpyrazol-1-yl)phenyl]ethyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide
SMILESCC(C)c1ccnn1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(Cl)c2)cc1.COC[C@@H]1CCCN1c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(Cl)c2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1)c1ccc(-n2ccnc2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1)c1ccc(-n2cncn2)cc1.Cc1ccn(-c2ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N3CCCC3c3cccc(Cl)c3)cc2)n1.Cc1ccn(-c2ccc([C@@H](C)NC(=O)[C@H](O)[C@@H](O)C(=O)N3CCC[C@@H]3c3ccccc3)cc2)n1.Cc1ccn(-c2ccc([C@@H](C)NC(=O)[C@H](O)[C@@H](O)C(=O)N3Cc4ccccc4C3)cc2)n1.Cc1nccn1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(Cl)c2)cc1.O=C(NCc1ccc(-n2cncn2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1.O=C(NCc1ccc(-n2nccc2-c2cccs2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1.O=C(NCc1ccc(-n2nccc2C2CCCC2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1.O=C(NCc1ccc(N2CCC2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1
InChIInChI=1S/C29H33ClN4O4.C28H27ClN4O4S.C27H31ClN4O4.C27H34ClN3O5.C26H30N4O4.2C25H27ClN4O4.C25H28N4O4.C24H28ClN3O4.C24H26N4O4.C23H24ClN5O4.C22H23N5O4/c30-22-8-3-7-21(17-22)24-9-4-16-33(24)29(38)27(36)26(35)28(37)31-18-19-10-12-23(13-11-19)34-25(14-15-32-34)20-5-1-2-6-20;29-20-5-1-4-19(16-20)22-6-2-14-32(22)28(37)26(35)25(34)27(36)30-17-18-8-10-21(11-9-18)33-23(12-13-31-33)24-7-3-15-38-24;1-17(2)22-12-13-30-32(22)21-10-8-18(9-11-21)16-29-26(35)24(33)25(34)27(36)31-14-4-7-23(31)19-5-3-6-20(28)15-19;1-36-17-22-7-3-13-30(22)21-11-9-18(10-12-21)16-29-26(34)24(32)25(33)27(35)31-14-4-8-23(31)19-5-2-6-20(28)15-19;1-17-14-16-30(28-17)21-12-10-19(11-13-21)18(2)27-25(33)23(31)24(32)26(34)29-15-6-9-22(29)20-7-4-3-5-8-20;1-16-27-11-13-29(16)20-9-7-17(8-10-20)15-28-24(33)22(31)23(32)25(34)30-12-3-6-21(30)18-4-2-5-19(26)14-18;1-16-11-13-30(28-16)20-9-7-17(8-10-20)15-27-24(33)22(31)23(32)25(34)29-12-3-6-21(29)18-4-2-5-19(26)14-18;1-17(18-9-11-20(12-10-18)28-15-13-26-16-28)27-24(32)22(30)23(31)25(33)29-14-5-8-21(29)19-6-3-2-4-7-19;25-18-5-1-4-17(14-18)20-6-2-13-28(20)24(32)22(30)21(29)23(31)26-15-16-7-9-19(10-8-16)27-11-3-12-27;1-15-11-12-28(26-15)20-9-7-17(8-10-20)16(2)25-23(31)21(29)22(30)24(32)27-13-18-5-3-4-6-19(18)14-27;24-17-4-1-3-16(11-17)19-5-2-10-28(19)23(33)21(31)20(30)22(32)26-12-15-6-8-18(9-7-15)29-14-25-13-27-29;1-14(15-6-8-18(9-7-15)27-13-23-12-24-27)25-21(30)19(28)20(29)22(31)26-10-16-4-2-3-5-17(16)11-26/h3,7-8,10-15,17,20,24,26-27,35-36H,1-2,4-6,9,16,18H2,(H,31,37);1,3-5,7-13,15-16,22,25-26,34-35H,2,6,14,17H2,(H,30,36);3,5-6,8-13,15,17,23-25,33-34H,4,7,14,16H2,1-2H3,(H,29,35);2,5-6,9-12,15,22-25,32-33H,3-4,7-8,13-14,16-17H2,1H3,(H,29,34);3-5,7-8,10-14,16,18,22-24,31-32H,6,9,15H2,1-2H3,(H,27,33);2,4-5,7-11,13-14,21-23,31-32H,3,6,12,15H2,1H3,(H,28,33);2,4-5,7-11,13-14,21-23,31-32H,3,6,12,15H2,1H3,(H,27,33);2-4,6-7,9-13,15-17,21-23,30-31H,5,8,14H2,1H3,(H,27,32);1,4-5,7-10,14,20-22,29-30H,2-3,6,11-13,15H2,(H,26,31);3-12,16,21-22,29-30H,13-14H2,1-2H3,(H,25,31);1,3-4,6-9,11,13-14,19-21,30-31H,2,5,10,12H2,(H,26,32);2-9,12-14,19-20,28-29H,10-11H2,1H3,(H,25,30)/t24?,26-,27-;22?,25-,26-;23?,24-,25-;22-,23?,24+,25+;18-,22-,23-,24-;2*21?,22-,23-;17-,21-,22-,23-;20?,21-,22-;16-,21-,22-;19?,20-,21-;14-,19-,20-/m111011111111/s1
InChIKeyISHDPRJOZZKYAF-WBBIQBIGSA-N
MW5776.04 g/mol
LogP29.70
Rot. Bonds87

About (2R,3R)-N-[[4-(azetidin-1-yl)phenyl]methyl]-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(5-cyclopentylpyrazol-1-yl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-(3-methylpyrazol-1-yl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(5-propan-2-ylpyrazol-1-yl)phenyl]methyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(5-thiophen-2-ylpyrazol-1-yl)phenyl]methyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1R)-1-[4-(3-methylpyrazol-1-yl)phenyl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide;(2R,3R)-2,3-dihydroxy-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-[(1R)-1-[4-(3-methylpyrazol-1-yl)phenyl]ethyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide

(2R,3R)-N-[[4-(azetidin-1-yl)phenyl]methyl]-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(5-cyclopentylpyrazol-1-yl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-(3-methylpyrazol-1-yl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(5-propan-2-ylpyrazol-1-yl)phenyl]methyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(5-thiophen-2-ylpyrazol-1-yl)phenyl]methyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1R)-1-[4-(3-methylpyrazol-1-yl)phenyl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide;(2R,3R)-2,3-dihydroxy-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-[(1R)-1-[4-(3-methylpyrazol-1-yl)phenyl]ethyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide (PubChem CID 158791118) has the molecular formula C305H338Cl8N48O49S and a molecular weight of 5776.04 g/mol. Its IUPAC name is (2R,3R)-N-[[4-(azetidin-1-yl)phenyl]methyl]-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(5-cyclopentylpyrazol-1-yl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-(3-methylpyrazol-1-yl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(5-propan-2-ylpyrazol-1-yl)phenyl]methyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(5-thiophen-2-ylpyrazol-1-yl)phenyl]methyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1R)-1-[4-(3-methylpyrazol-1-yl)phenyl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide;(2R,3R)-2,3-dihydroxy-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-[(1R)-1-[4-(3-methylpyrazol-1-yl)phenyl]ethyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide.

Molecular Properties

Compound Name(2R,3R)-N-[[4-(azetidin-1-yl)phenyl]methyl]-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(5-cyclopentylpyrazol-1-yl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-(3-methylpyrazol-1-yl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(5-propan-2-ylpyrazol-1-yl)phenyl]methyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(5-thiophen-2-ylpyrazol-1-yl)phenyl]methyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1R)-1-[4-(3-methylpyrazol-1-yl)phenyl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide;(2R,3R)-2,3-dihydroxy-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-[(1R)-1-[4-(3-methylpyrazol-1-yl)phenyl]ethyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide
PubChem CID158791118
Molecular FormulaC305H338Cl8N48O49S
Molecular Weight5776.04 g/mol
Exact Mass5768.27
IUPAC Name(2R,3R)-N-[[4-(azetidin-1-yl)phenyl]methyl]-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(5-cyclopentylpyrazol-1-yl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-(3-methylpyrazol-1-yl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(5-propan-2-ylpyrazol-1-yl)phenyl]methyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(5-thiophen-2-ylpyrazol-1-yl)phenyl]methyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1R)-1-[4-(3-methylpyrazol-1-yl)phenyl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide;(2R,3R)-2,3-dihydroxy-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-[(1R)-1-[4-(3-methylpyrazol-1-yl)phenyl]ethyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide
SMILESCC(C)c1ccnn1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(Cl)c2)cc1.COC[C@@H]1CCCN1c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(Cl)c2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1)c1ccc(-n2ccnc2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1)c1ccc(-n2cncn2)cc1.Cc1ccn(-c2ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N3CCCC3c3cccc(Cl)c3)cc2)n1.Cc1ccn(-c2ccc([C@@H](C)NC(=O)[C@H](O)[C@@H](O)C(=O)N3CCC[C@@H]3c3ccccc3)cc2)n1.Cc1ccn(-c2ccc([C@@H](C)NC(=O)[C@H](O)[C@@H](O)C(=O)N3Cc4ccccc4C3)cc2)n1.Cc1nccn1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(Cl)c2)cc1.O=C(NCc1ccc(-n2cncn2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1.O=C(NCc1ccc(-n2nccc2-c2cccs2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1.O=C(NCc1ccc(-n2nccc2C2CCCC2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1.O=C(NCc1ccc(N2CCC2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1
InChIInChI=1S/C29H33ClN4O4.C28H27ClN4O4S.C27H31ClN4O4.C27H34ClN3O5.C26H30N4O4.2C25H27ClN4O4.C25H28N4O4.C24H28ClN3O4.C24H26N4O4.C23H24ClN5O4.C22H23N5O4/c30-22-8-3-7-21(17-22)24-9-4-16-33(24)29(38)27(36)26(35)28(37)31-18-19-10-12-23(13-11-19)34-25(14-15-32-34)20-5-1-2-6-20;29-20-5-1-4-19(16-20)22-6-2-14-32(22)28(37)26(35)25(34)27(36)30-17-18-8-10-21(11-9-18)33-23(12-13-31-33)24-7-3-15-38-24;1-17(2)22-12-13-30-32(22)21-10-8-18(9-11-21)16-29-26(35)24(33)25(34)27(36)31-14-4-7-23(31)19-5-3-6-20(28)15-19;1-36-17-22-7-3-13-30(22)21-11-9-18(10-12-21)16-29-26(34)24(32)25(33)27(35)31-14-4-8-23(31)19-5-2-6-20(28)15-19;1-17-14-16-30(28-17)21-12-10-19(11-13-21)18(2)27-25(33)23(31)24(32)26(34)29-15-6-9-22(29)20-7-4-3-5-8-20;1-16-27-11-13-29(16)20-9-7-17(8-10-20)15-28-24(33)22(31)23(32)25(34)30-12-3-6-21(30)18-4-2-5-19(26)14-18;1-16-11-13-30(28-16)20-9-7-17(8-10-20)15-27-24(33)22(31)23(32)25(34)29-12-3-6-21(29)18-4-2-5-19(26)14-18;1-17(18-9-11-20(12-10-18)28-15-13-26-16-28)27-24(32)22(30)23(31)25(33)29-14-5-8-21(29)19-6-3-2-4-7-19;25-18-5-1-4-17(14-18)20-6-2-13-28(20)24(32)22(30)21(29)23(31)26-15-16-7-9-19(10-8-16)27-11-3-12-27;1-15-11-12-28(26-15)20-9-7-17(8-10-20)16(2)25-23(31)21(29)22(30)24(32)27-13-18-5-3-4-6-19(18)14-27;24-17-4-1-3-16(11-17)19-5-2-10-28(19)23(33)21(31)20(30)22(32)26-12-15-6-8-18(9-7-15)29-14-25-13-27-29;1-14(15-6-8-18(9-7-15)27-13-23-12-24-27)25-21(30)19(28)20(29)22(31)26-10-16-4-2-3-5-17(16)11-26/h3,7-8,10-15,17,20,24,26-27,35-36H,1-2,4-6,9,16,18H2,(H,31,37);1,3-5,7-13,15-16,22,25-26,34-35H,2,6,14,17H2,(H,30,36);3,5-6,8-13,15,17,23-25,33-34H,4,7,14,16H2,1-2H3,(H,29,35);2,5-6,9-12,15,22-25,32-33H,3-4,7-8,13-14,16-17H2,1H3,(H,29,34);3-5,7-8,10-14,16,18,22-24,31-32H,6,9,15H2,1-2H3,(H,27,33);2,4-5,7-11,13-14,21-23,31-32H,3,6,12,15H2,1H3,(H,28,33);2,4-5,7-11,13-14,21-23,31-32H,3,6,12,15H2,1H3,(H,27,33);2-4,6-7,9-13,15-17,21-23,30-31H,5,8,14H2,1H3,(H,27,32);1,4-5,7-10,14,20-22,29-30H,2-3,6,11-13,15H2,(H,26,31);3-12,16,21-22,29-30H,13-14H2,1-2H3,(H,25,31);1,3-4,6-9,11,13-14,19-21,30-31H,2,5,10,12H2,(H,26,32);2-9,12-14,19-20,28-29H,10-11H2,1H3,(H,25,30)/t24?,26-,27-;22?,25-,26-;23?,24-,25-;22-,23?,24+,25+;18-,22-,23-,24-;2*21?,22-,23-;17-,21-,22-,23-;20?,21-,22-;16-,21-,22-;19?,20-,21-;14-,19-,20-/m111011111111/s1
InChIKeyISHDPRJOZZKYAF-WBBIQBIGSA-N
XLogP29.70
TPSA1298.13 Ų
H-Bond Donors36
H-Bond Acceptors74
Rotatable Bonds87
Heavy Atoms411
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005776.04
LogP ≤ 529.70
H-Bond Donors ≤ 536
H-Bond Acceptors ≤ 1074

Analyze (2R,3R)-N-[[4-(azetidin-1-yl)phenyl]methyl]-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(5-cyclopentylpyrazol-1-yl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-(3-methylpyrazol-1-yl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(5-propan-2-ylpyrazol-1-yl)phenyl]methyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(5-thiophen-2-ylpyrazol-1-yl)phenyl]methyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1R)-1-[4-(3-methylpyrazol-1-yl)phenyl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide;(2R,3R)-2,3-dihydroxy-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-[(1R)-1-[4-(3-methylpyrazol-1-yl)phenyl]ethyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[[4-(azetidin-1-yl)phenyl]methyl]-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(5-cyclopentylpyrazol-1-yl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-(3-methylpyrazol-1-yl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(5-propan-2-ylpyrazol-1-yl)phenyl]methyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(5-thiophen-2-ylpyrazol-1-yl)phenyl]methyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1R)-1-[4-(3-methylpyrazol-1-yl)phenyl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide;(2R,3R)-2,3-dihydroxy-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-[(1R)-1-[4-(3-methylpyrazol-1-yl)phenyl]ethyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide?
The IUPAC name of (2R,3R)-N-[[4-(azetidin-1-yl)phenyl]methyl]-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(5-cyclopentylpyrazol-1-yl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-(3-methylpyrazol-1-yl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(5-propan-2-ylpyrazol-1-yl)phenyl]methyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(5-thiophen-2-ylpyrazol-1-yl)phenyl]methyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1R)-1-[4-(3-methylpyrazol-1-yl)phenyl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide;(2R,3R)-2,3-dihydroxy-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-[(1R)-1-[4-(3-methylpyrazol-1-yl)phenyl]ethyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide (CID 158791118) is (2R,3R)-N-[[4-(azetidin-1-yl)phenyl]methyl]-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(5-cyclopentylpyrazol-1-yl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-(3-methylpyrazol-1-yl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(5-propan-2-ylpyrazol-1-yl)phenyl]methyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(5-thiophen-2-ylpyrazol-1-yl)phenyl]methyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1R)-1-[4-(3-methylpyrazol-1-yl)phenyl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide;(2R,3R)-2,3-dihydroxy-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-[(1R)-1-[4-(3-methylpyrazol-1-yl)phenyl]ethyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide.
What is the SMILES notation for (2R,3R)-N-[[4-(azetidin-1-yl)phenyl]methyl]-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(5-cyclopentylpyrazol-1-yl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-(3-methylpyrazol-1-yl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(5-propan-2-ylpyrazol-1-yl)phenyl]methyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(5-thiophen-2-ylpyrazol-1-yl)phenyl]methyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1R)-1-[4-(3-methylpyrazol-1-yl)phenyl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide;(2R,3R)-2,3-dihydroxy-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-[(1R)-1-[4-(3-methylpyrazol-1-yl)phenyl]ethyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide?
The canonical SMILES for (2R,3R)-N-[[4-(azetidin-1-yl)phenyl]methyl]-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(5-cyclopentylpyrazol-1-yl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-(3-methylpyrazol-1-yl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(5-propan-2-ylpyrazol-1-yl)phenyl]methyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(5-thiophen-2-ylpyrazol-1-yl)phenyl]methyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1R)-1-[4-(3-methylpyrazol-1-yl)phenyl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide;(2R,3R)-2,3-dihydroxy-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-[(1R)-1-[4-(3-methylpyrazol-1-yl)phenyl]ethyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide is CC(C)c1ccnn1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(Cl)c2)cc1.COC[C@@H]1CCCN1c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(Cl)c2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1)c1ccc(-n2ccnc2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1)c1ccc(-n2cncn2)cc1.Cc1ccn(-c2ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N3CCCC3c3cccc(Cl)c3)cc2)n1.Cc1ccn(-c2ccc([C@@H](C)NC(=O)[C@H](O)[C@@H](O)C(=O)N3CCC[C@@H]3c3ccccc3)cc2)n1.Cc1ccn(-c2ccc([C@@H](C)NC(=O)[C@H](O)[C@@H](O)C(=O)N3Cc4ccccc4C3)cc2)n1.Cc1nccn1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(Cl)c2)cc1.O=C(NCc1ccc(-n2cncn2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1.O=C(NCc1ccc(-n2nccc2-c2cccs2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1.O=C(NCc1ccc(-n2nccc2C2CCCC2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1.O=C(NCc1ccc(N2CCC2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1.
What is the InChIKey of (2R,3R)-N-[[4-(azetidin-1-yl)phenyl]methyl]-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(5-cyclopentylpyrazol-1-yl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-(3-methylpyrazol-1-yl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(5-propan-2-ylpyrazol-1-yl)phenyl]methyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(5-thiophen-2-ylpyrazol-1-yl)phenyl]methyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1R)-1-[4-(3-methylpyrazol-1-yl)phenyl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide;(2R,3R)-2,3-dihydroxy-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-[(1R)-1-[4-(3-methylpyrazol-1-yl)phenyl]ethyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide?
The InChIKey is ISHDPRJOZZKYAF-WBBIQBIGSA-N. The full InChI is InChI=1S/C29H33ClN4O4.C28H27ClN4O4S.C27H31ClN4O4.C27H34ClN3O5.C26H30N4O4.2C25H27ClN4O4.C25H28N4O4.C24H28ClN3O4.C24H26N4O4.C23H24ClN5O4.C22H23N5O4/c30-22-8-3-7-21(17-22)24-9-4-16-33(24)29(38)27(36)26(35)28(37)31-18-19-10-12-23(13-11-19)34-25(14-15-32-34)20-5-1-2-6-20;29-20-5-1-4-19(16-20)22-6-2-14-32(22)28(37)26(35)25(34)27(36)30-17-18-8-10-21(11-9-18)33-23(12-13-31-33)24-7-3-15-38-24;1-17(2)22-12-13-30-32(22)21-10-8-18(9-11-21)16-29-26(35)24(33)25(34)27(36)31-14-4-7-23(31)19-5-3-6-20(28)15-19;1-36-17-22-7-3-13-30(22)21-11-9-18(10-12-21)16-29-26(34)24(32)25(33)27(35)31-14-4-8-23(31)19-5-2-6-20(28)15-19;1-17-14-16-30(28-17)21-12-10-19(11-13-21)18(2)27-25(33)23(31)24(32)26(34)29-15-6-9-22(29)20-7-4-3-5-8-20;1-16-27-11-13-29(16)20-9-7-17(8-10-20)15-28-24(33)22(31)23(32)25(34)30-12-3-6-21(30)18-4-2-5-19(26)14-18;1-16-11-13-30(28-16)20-9-7-17(8-10-20)15-27-24(33)22(31)23(32)25(34)29-12-3-6-21(29)18-4-2-5-19(26)14-18;1-17(18-9-11-20(12-10-18)28-15-13-26-16-28)27-24(32)22(30)23(31)25(33)29-14-5-8-21(29)19-6-3-2-4-7-19;25-18-5-1-4-17(14-18)20-6-2-13-28(20)24(32)22(30)21(29)23(31)26-15-16-7-9-19(10-8-16)27-11-3-12-27;1-15-11-12-28(26-15)20-9-7-17(8-10-20)16(2)25-23(31)21(29)22(30)24(32)27-13-18-5-3-4-6-19(18)14-27;24-17-4-1-3-16(11-17)19-5-2-10-28(19)23(33)21(31)20(30)22(32)26-12-15-6-8-18(9-7-15)29-14-25-13-27-29;1-14(15-6-8-18(9-7-15)27-13-23-12-24-27)25-21(30)19(28)20(29)22(31)26-10-16-4-2-3-5-17(16)11-26/h3,7-8,10-15,17,20,24,26-27,35-36H,1-2,4-6,9,16,18H2,(H,31,37);1,3-5,7-13,15-16,22,25-26,34-35H,2,6,14,17H2,(H,30,36);3,5-6,8-13,15,17,23-25,33-34H,4,7,14,16H2,1-2H3,(H,29,35);2,5-6,9-12,15,22-25,32-33H,3-4,7-8,13-14,16-17H2,1H3,(H,29,34);3-5,7-8,10-14,16,18,22-24,31-32H,6,9,15H2,1-2H3,(H,27,33);2,4-5,7-11,13-14,21-23,31-32H,3,6,12,15H2,1H3,(H,28,33);2,4-5,7-11,13-14,21-23,31-32H,3,6,12,15H2,1H3,(H,27,33);2-4,6-7,9-13,15-17,21-23,30-31H,5,8,14H2,1H3,(H,27,32);1,4-5,7-10,14,20-22,29-30H,2-3,6,11-13,15H2,(H,26,31);3-12,16,21-22,29-30H,13-14H2,1-2H3,(H,25,31);1,3-4,6-9,11,13-14,19-21,30-31H,2,5,10,12H2,(H,26,32);2-9,12-14,19-20,28-29H,10-11H2,1H3,(H,25,30)/t24?,26-,27-;22?,25-,26-;23?,24-,25-;22-,23?,24+,25+;18-,22-,23-,24-;2*21?,22-,23-;17-,21-,22-,23-;20?,21-,22-;16-,21-,22-;19?,20-,21-;14-,19-,20-/m111011111111/s1.
What are the key properties of (2R,3R)-N-[[4-(azetidin-1-yl)phenyl]methyl]-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(5-cyclopentylpyrazol-1-yl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-(3-methylpyrazol-1-yl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(5-propan-2-ylpyrazol-1-yl)phenyl]methyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(5-thiophen-2-ylpyrazol-1-yl)phenyl]methyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1R)-1-[4-(3-methylpyrazol-1-yl)phenyl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide;(2R,3R)-2,3-dihydroxy-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-[(1R)-1-[4-(3-methylpyrazol-1-yl)phenyl]ethyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide?
(2R,3R)-N-[[4-(azetidin-1-yl)phenyl]methyl]-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(5-cyclopentylpyrazol-1-yl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-(3-methylpyrazol-1-yl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(5-propan-2-ylpyrazol-1-yl)phenyl]methyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(5-thiophen-2-ylpyrazol-1-yl)phenyl]methyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1R)-1-[4-(3-methylpyrazol-1-yl)phenyl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide;(2R,3R)-2,3-dihydroxy-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-[(1R)-1-[4-(3-methylpyrazol-1-yl)phenyl]ethyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide has a molecular weight of 5776.04 g/mol, XLogP of 29.70, 87 rotatable bonds, 36 hydrogen bond donors, and 74 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[[4-(azetidin-1-yl)phenyl]methyl]-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(5-cyclopentylpyrazol-1-yl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-(3-methylpyrazol-1-yl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(5-propan-2-ylpyrazol-1-yl)phenyl]methyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(5-thiophen-2-ylpyrazol-1-yl)phenyl]methyl]butanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1R)-1-[4-(3-methylpyrazol-1-yl)phenyl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide;(2R,3R)-2,3-dihydroxy-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-[(1R)-1-[4-(3-methylpyrazol-1-yl)phenyl]ethyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide is sourced from PubChem (CID 158791118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).