(2R,3R)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;benzyl (3S)-4-[(2R,3R)-4-[(4-benzyl-1,3-thiazol-2-yl)methylamino]-2,3-dihydroxy-4-oxobutanoyl]-3-phenylpiperazine-1-carboxylate;(2R,3R)-N-benzyl-2,3-dihydroxy-N-methyl-N'-(2-thiophen-2-ylethyl)butanediamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxy-4-[2-(3-methylphenyl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxy-4-[2-(4-methylphenyl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-4-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[4-(2,4-difluorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-2,3-dihydroxy-N-methyl-N-[(1R)-1-phenylethyl]-N'-(2-thiophen-2-ylethyl)butanediamide

C235H266F3N27O42S12 — CID 158302342

IUPAC(2R,3R)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;benzyl (3S)-4-[(2R,3R)-4-[(4-benzyl-1,3-thiazol-2-yl)methylamino]-2,3-dihydroxy-4-oxobutanoyl]-3-phenylpiperazine-1-carboxylate;(2R,3R)-N-benzyl-2,3-dihydroxy-N-methyl-N'-(2-thiophen-2-ylethyl)butanediamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxy-4-[2-(3-methylphenyl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxy-4-[2-(4-methylphenyl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-4-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[4-(2,4-difluorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-2,3-dihydroxy-N-methyl-N-[(1R)-1-phenylethyl]-N'-(2-thiophen-2-ylethyl)butanediamide
SMILESCN(Cc1ccccc1)C(=O)[C@H](O)[C@@H](O)C(=O)NCCc1cccs1.C[C@H](c1ccccc1)N(C)C(=O)[C@H](O)[C@@H](O)C(=O)NCCc1cccs1.Cc1ccc(C2CCCN2C(=O)[C@H](O)[C@@H](O)C(=O)NCCc2cc(Cc3ccccc3)cs2)cc1.Cc1cccc(C2CCCN2C(=O)[C@H](O)[C@@H](O)C(=O)NCCc2cc(Cc3ccccc3)cs2)c1.Nc1nc(CCNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)cs1.O=C(NCCc1cc(Cc2ccccc2)cs1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1cccc(F)c1.O=C(NCCc1cc(Cc2ccccc2)cs1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1nccs1.O=C(NCCc1cccs1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1nc2ccccc2s1.O=C(NCCc1cccs1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccc(F)cc2F)CC1.O=C(NCc1nc(Cc2ccccc2)cs1)[C@H](O)[C@@H](O)C(=O)N1CCN(C(=O)OCc2ccccc2)C[C@@H]1c1ccccc1
InChIInChI=1S/C33H34N4O6S.2C28H32N2O4S.C27H29FN2O4S.C24H27N3O4S2.C21H23N3O4S2.C20H23F2N3O4S.C19H24N2O4S.C18H22N2O4S.C17H20N4O4S/c38-29(31(40)34-19-28-35-26(22-44-28)18-23-10-4-1-5-11-23)30(39)32(41)37-17-16-36(20-27(37)25-14-8-3-9-15-25)33(42)43-21-24-12-6-2-7-13-24;1-19-7-5-10-22(15-19)24-11-6-14-30(24)28(34)26(32)25(31)27(33)29-13-12-23-17-21(18-35-23)16-20-8-3-2-4-9-20;1-19-9-11-22(12-10-19)24-8-5-15-30(24)28(34)26(32)25(31)27(33)29-14-13-23-17-21(18-35-23)16-20-6-3-2-4-7-20;28-21-9-4-8-20(16-21)23-10-5-13-30(23)27(34)25(32)24(31)26(33)29-12-11-22-15-19(17-35-22)14-18-6-2-1-3-7-18;28-20(21(29)24(31)27-11-4-7-19(27)23-26-10-12-32-23)22(30)25-9-8-18-14-17(15-33-18)13-16-5-2-1-3-6-16;25-17(19(27)22-10-9-13-5-4-12-29-13)18(26)21(28)24-11-3-7-15(24)20-23-14-6-1-2-8-16(14)30-20;21-13-3-4-16(15(22)12-13)24-7-9-25(10-8-24)20(29)18(27)17(26)19(28)23-6-5-14-2-1-11-30-14;1-13(14-7-4-3-5-8-14)21(2)19(25)17(23)16(22)18(24)20-11-10-15-9-6-12-26-15;1-20(12-13-6-3-2-4-7-13)18(24)16(22)15(21)17(23)19-10-9-14-8-5-11-25-14;18-17-20-12(9-26-17)5-6-19-15(24)13(22)14(23)16(25)21-7-10-3-1-2-4-11(10)8-21/h1-15,22,27,29-30,38-39H,16-21H2,(H,34,40);2-5,7-10,15,17-18,24-26,31-32H,6,11-14,16H2,1H3,(H,29,33);2-4,6-7,9-12,17-18,24-26,31-32H,5,8,13-16H2,1H3,(H,29,33);1-4,6-9,15-17,23-25,31-32H,5,10-14H2,(H,29,33);1-3,5-6,10,12,14-15,19-21,28-29H,4,7-9,11,13H2,(H,25,30);1-2,4-6,8,12,15,17-18,25-26H,3,7,9-11H2,(H,22,27);1-4,11-12,17-18,26-27H,5-10H2,(H,23,28);3-9,12-13,16-17,22-23H,10-11H2,1-2H3,(H,20,24);2-8,11,15-16,21-22H,9-10,12H2,1H3,(H,19,23);1-4,9,13-14,22-23H,5-8H2,(H2,18,20)(H,19,24)/t27-,29-,30-;2*24?,25-,26-;23?,24-,25-;19-,20-,21-;15?,17-,18-;17-,18-;13-,16-,17-;15-,16-;13-,14-/m1111111111/s1
InChIKeyGMQMBKMAHWBKMZ-UFJAQUEKSA-N
MW4582.66 g/mol
LogP20.48
Rot. Bonds82

About (2R,3R)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;benzyl (3S)-4-[(2R,3R)-4-[(4-benzyl-1,3-thiazol-2-yl)methylamino]-2,3-dihydroxy-4-oxobutanoyl]-3-phenylpiperazine-1-carboxylate;(2R,3R)-N-benzyl-2,3-dihydroxy-N-methyl-N'-(2-thiophen-2-ylethyl)butanediamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxy-4-[2-(3-methylphenyl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxy-4-[2-(4-methylphenyl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-4-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[4-(2,4-difluorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-2,3-dihydroxy-N-methyl-N-[(1R)-1-phenylethyl]-N'-(2-thiophen-2-ylethyl)butanediamide

(2R,3R)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;benzyl (3S)-4-[(2R,3R)-4-[(4-benzyl-1,3-thiazol-2-yl)methylamino]-2,3-dihydroxy-4-oxobutanoyl]-3-phenylpiperazine-1-carboxylate;(2R,3R)-N-benzyl-2,3-dihydroxy-N-methyl-N'-(2-thiophen-2-ylethyl)butanediamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxy-4-[2-(3-methylphenyl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxy-4-[2-(4-methylphenyl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-4-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[4-(2,4-difluorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-2,3-dihydroxy-N-methyl-N-[(1R)-1-phenylethyl]-N'-(2-thiophen-2-ylethyl)butanediamide (PubChem CID 158302342) has the molecular formula C235H266F3N27O42S12 and a molecular weight of 4582.66 g/mol. Its IUPAC name is (2R,3R)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;benzyl (3S)-4-[(2R,3R)-4-[(4-benzyl-1,3-thiazol-2-yl)methylamino]-2,3-dihydroxy-4-oxobutanoyl]-3-phenylpiperazine-1-carboxylate;(2R,3R)-N-benzyl-2,3-dihydroxy-N-methyl-N'-(2-thiophen-2-ylethyl)butanediamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxy-4-[2-(3-methylphenyl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxy-4-[2-(4-methylphenyl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-4-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[4-(2,4-difluorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-2,3-dihydroxy-N-methyl-N-[(1R)-1-phenylethyl]-N'-(2-thiophen-2-ylethyl)butanediamide.

Molecular Properties

Compound Name(2R,3R)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;benzyl (3S)-4-[(2R,3R)-4-[(4-benzyl-1,3-thiazol-2-yl)methylamino]-2,3-dihydroxy-4-oxobutanoyl]-3-phenylpiperazine-1-carboxylate;(2R,3R)-N-benzyl-2,3-dihydroxy-N-methyl-N'-(2-thiophen-2-ylethyl)butanediamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxy-4-[2-(3-methylphenyl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxy-4-[2-(4-methylphenyl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-4-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[4-(2,4-difluorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-2,3-dihydroxy-N-methyl-N-[(1R)-1-phenylethyl]-N'-(2-thiophen-2-ylethyl)butanediamide
PubChem CID158302342
Molecular FormulaC235H266F3N27O42S12
Molecular Weight4582.66 g/mol
Exact Mass4578.61
IUPAC Name(2R,3R)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;benzyl (3S)-4-[(2R,3R)-4-[(4-benzyl-1,3-thiazol-2-yl)methylamino]-2,3-dihydroxy-4-oxobutanoyl]-3-phenylpiperazine-1-carboxylate;(2R,3R)-N-benzyl-2,3-dihydroxy-N-methyl-N'-(2-thiophen-2-ylethyl)butanediamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxy-4-[2-(3-methylphenyl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxy-4-[2-(4-methylphenyl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-4-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[4-(2,4-difluorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-2,3-dihydroxy-N-methyl-N-[(1R)-1-phenylethyl]-N'-(2-thiophen-2-ylethyl)butanediamide
SMILESCN(Cc1ccccc1)C(=O)[C@H](O)[C@@H](O)C(=O)NCCc1cccs1.C[C@H](c1ccccc1)N(C)C(=O)[C@H](O)[C@@H](O)C(=O)NCCc1cccs1.Cc1ccc(C2CCCN2C(=O)[C@H](O)[C@@H](O)C(=O)NCCc2cc(Cc3ccccc3)cs2)cc1.Cc1cccc(C2CCCN2C(=O)[C@H](O)[C@@H](O)C(=O)NCCc2cc(Cc3ccccc3)cs2)c1.Nc1nc(CCNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)cs1.O=C(NCCc1cc(Cc2ccccc2)cs1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1cccc(F)c1.O=C(NCCc1cc(Cc2ccccc2)cs1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1nccs1.O=C(NCCc1cccs1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1nc2ccccc2s1.O=C(NCCc1cccs1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccc(F)cc2F)CC1.O=C(NCc1nc(Cc2ccccc2)cs1)[C@H](O)[C@@H](O)C(=O)N1CCN(C(=O)OCc2ccccc2)C[C@@H]1c1ccccc1
InChIInChI=1S/C33H34N4O6S.2C28H32N2O4S.C27H29FN2O4S.C24H27N3O4S2.C21H23N3O4S2.C20H23F2N3O4S.C19H24N2O4S.C18H22N2O4S.C17H20N4O4S/c38-29(31(40)34-19-28-35-26(22-44-28)18-23-10-4-1-5-11-23)30(39)32(41)37-17-16-36(20-27(37)25-14-8-3-9-15-25)33(42)43-21-24-12-6-2-7-13-24;1-19-7-5-10-22(15-19)24-11-6-14-30(24)28(34)26(32)25(31)27(33)29-13-12-23-17-21(18-35-23)16-20-8-3-2-4-9-20;1-19-9-11-22(12-10-19)24-8-5-15-30(24)28(34)26(32)25(31)27(33)29-14-13-23-17-21(18-35-23)16-20-6-3-2-4-7-20;28-21-9-4-8-20(16-21)23-10-5-13-30(23)27(34)25(32)24(31)26(33)29-12-11-22-15-19(17-35-22)14-18-6-2-1-3-7-18;28-20(21(29)24(31)27-11-4-7-19(27)23-26-10-12-32-23)22(30)25-9-8-18-14-17(15-33-18)13-16-5-2-1-3-6-16;25-17(19(27)22-10-9-13-5-4-12-29-13)18(26)21(28)24-11-3-7-15(24)20-23-14-6-1-2-8-16(14)30-20;21-13-3-4-16(15(22)12-13)24-7-9-25(10-8-24)20(29)18(27)17(26)19(28)23-6-5-14-2-1-11-30-14;1-13(14-7-4-3-5-8-14)21(2)19(25)17(23)16(22)18(24)20-11-10-15-9-6-12-26-15;1-20(12-13-6-3-2-4-7-13)18(24)16(22)15(21)17(23)19-10-9-14-8-5-11-25-14;18-17-20-12(9-26-17)5-6-19-15(24)13(22)14(23)16(25)21-7-10-3-1-2-4-11(10)8-21/h1-15,22,27,29-30,38-39H,16-21H2,(H,34,40);2-5,7-10,15,17-18,24-26,31-32H,6,11-14,16H2,1H3,(H,29,33);2-4,6-7,9-12,17-18,24-26,31-32H,5,8,13-16H2,1H3,(H,29,33);1-4,6-9,15-17,23-25,31-32H,5,10-14H2,(H,29,33);1-3,5-6,10,12,14-15,19-21,28-29H,4,7-9,11,13H2,(H,25,30);1-2,4-6,8,12,15,17-18,25-26H,3,7,9-11H2,(H,22,27);1-4,11-12,17-18,26-27H,5-10H2,(H,23,28);3-9,12-13,16-17,22-23H,10-11H2,1-2H3,(H,20,24);2-8,11,15-16,21-22H,9-10,12H2,1H3,(H,19,23);1-4,9,13-14,22-23H,5-8H2,(H2,18,20)(H,19,24)/t27-,29-,30-;2*24?,25-,26-;23?,24-,25-;19-,20-,21-;15?,17-,18-;17-,18-;13-,16-,17-;15-,16-;13-,14-/m1111111111/s1
InChIKeyGMQMBKMAHWBKMZ-UFJAQUEKSA-N
XLogP20.48
TPSA1009.06 Ų
H-Bond Donors31
H-Bond Acceptors60
Rotatable Bonds82
Heavy Atoms319
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004582.66
LogP ≤ 520.48
H-Bond Donors ≤ 531
H-Bond Acceptors ≤ 1060

Analyze (2R,3R)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;benzyl (3S)-4-[(2R,3R)-4-[(4-benzyl-1,3-thiazol-2-yl)methylamino]-2,3-dihydroxy-4-oxobutanoyl]-3-phenylpiperazine-1-carboxylate;(2R,3R)-N-benzyl-2,3-dihydroxy-N-methyl-N'-(2-thiophen-2-ylethyl)butanediamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxy-4-[2-(3-methylphenyl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxy-4-[2-(4-methylphenyl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-4-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[4-(2,4-difluorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-2,3-dihydroxy-N-methyl-N-[(1R)-1-phenylethyl]-N'-(2-thiophen-2-ylethyl)butanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;benzyl (3S)-4-[(2R,3R)-4-[(4-benzyl-1,3-thiazol-2-yl)methylamino]-2,3-dihydroxy-4-oxobutanoyl]-3-phenylpiperazine-1-carboxylate;(2R,3R)-N-benzyl-2,3-dihydroxy-N-methyl-N'-(2-thiophen-2-ylethyl)butanediamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxy-4-[2-(3-methylphenyl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxy-4-[2-(4-methylphenyl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-4-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[4-(2,4-difluorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-2,3-dihydroxy-N-methyl-N-[(1R)-1-phenylethyl]-N'-(2-thiophen-2-ylethyl)butanediamide?
The IUPAC name of (2R,3R)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;benzyl (3S)-4-[(2R,3R)-4-[(4-benzyl-1,3-thiazol-2-yl)methylamino]-2,3-dihydroxy-4-oxobutanoyl]-3-phenylpiperazine-1-carboxylate;(2R,3R)-N-benzyl-2,3-dihydroxy-N-methyl-N'-(2-thiophen-2-ylethyl)butanediamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxy-4-[2-(3-methylphenyl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxy-4-[2-(4-methylphenyl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-4-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[4-(2,4-difluorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-2,3-dihydroxy-N-methyl-N-[(1R)-1-phenylethyl]-N'-(2-thiophen-2-ylethyl)butanediamide (CID 158302342) is (2R,3R)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;benzyl (3S)-4-[(2R,3R)-4-[(4-benzyl-1,3-thiazol-2-yl)methylamino]-2,3-dihydroxy-4-oxobutanoyl]-3-phenylpiperazine-1-carboxylate;(2R,3R)-N-benzyl-2,3-dihydroxy-N-methyl-N'-(2-thiophen-2-ylethyl)butanediamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxy-4-[2-(3-methylphenyl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxy-4-[2-(4-methylphenyl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-4-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[4-(2,4-difluorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-2,3-dihydroxy-N-methyl-N-[(1R)-1-phenylethyl]-N'-(2-thiophen-2-ylethyl)butanediamide.
What is the SMILES notation for (2R,3R)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;benzyl (3S)-4-[(2R,3R)-4-[(4-benzyl-1,3-thiazol-2-yl)methylamino]-2,3-dihydroxy-4-oxobutanoyl]-3-phenylpiperazine-1-carboxylate;(2R,3R)-N-benzyl-2,3-dihydroxy-N-methyl-N'-(2-thiophen-2-ylethyl)butanediamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxy-4-[2-(3-methylphenyl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxy-4-[2-(4-methylphenyl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-4-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[4-(2,4-difluorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-2,3-dihydroxy-N-methyl-N-[(1R)-1-phenylethyl]-N'-(2-thiophen-2-ylethyl)butanediamide?
The canonical SMILES for (2R,3R)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;benzyl (3S)-4-[(2R,3R)-4-[(4-benzyl-1,3-thiazol-2-yl)methylamino]-2,3-dihydroxy-4-oxobutanoyl]-3-phenylpiperazine-1-carboxylate;(2R,3R)-N-benzyl-2,3-dihydroxy-N-methyl-N'-(2-thiophen-2-ylethyl)butanediamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxy-4-[2-(3-methylphenyl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxy-4-[2-(4-methylphenyl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-4-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[4-(2,4-difluorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-2,3-dihydroxy-N-methyl-N-[(1R)-1-phenylethyl]-N'-(2-thiophen-2-ylethyl)butanediamide is CN(Cc1ccccc1)C(=O)[C@H](O)[C@@H](O)C(=O)NCCc1cccs1.C[C@H](c1ccccc1)N(C)C(=O)[C@H](O)[C@@H](O)C(=O)NCCc1cccs1.Cc1ccc(C2CCCN2C(=O)[C@H](O)[C@@H](O)C(=O)NCCc2cc(Cc3ccccc3)cs2)cc1.Cc1cccc(C2CCCN2C(=O)[C@H](O)[C@@H](O)C(=O)NCCc2cc(Cc3ccccc3)cs2)c1.Nc1nc(CCNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)cs1.O=C(NCCc1cc(Cc2ccccc2)cs1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1cccc(F)c1.O=C(NCCc1cc(Cc2ccccc2)cs1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1nccs1.O=C(NCCc1cccs1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1nc2ccccc2s1.O=C(NCCc1cccs1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccc(F)cc2F)CC1.O=C(NCc1nc(Cc2ccccc2)cs1)[C@H](O)[C@@H](O)C(=O)N1CCN(C(=O)OCc2ccccc2)C[C@@H]1c1ccccc1.
What is the InChIKey of (2R,3R)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;benzyl (3S)-4-[(2R,3R)-4-[(4-benzyl-1,3-thiazol-2-yl)methylamino]-2,3-dihydroxy-4-oxobutanoyl]-3-phenylpiperazine-1-carboxylate;(2R,3R)-N-benzyl-2,3-dihydroxy-N-methyl-N'-(2-thiophen-2-ylethyl)butanediamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxy-4-[2-(3-methylphenyl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxy-4-[2-(4-methylphenyl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-4-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[4-(2,4-difluorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-2,3-dihydroxy-N-methyl-N-[(1R)-1-phenylethyl]-N'-(2-thiophen-2-ylethyl)butanediamide?
The InChIKey is GMQMBKMAHWBKMZ-UFJAQUEKSA-N. The full InChI is InChI=1S/C33H34N4O6S.2C28H32N2O4S.C27H29FN2O4S.C24H27N3O4S2.C21H23N3O4S2.C20H23F2N3O4S.C19H24N2O4S.C18H22N2O4S.C17H20N4O4S/c38-29(31(40)34-19-28-35-26(22-44-28)18-23-10-4-1-5-11-23)30(39)32(41)37-17-16-36(20-27(37)25-14-8-3-9-15-25)33(42)43-21-24-12-6-2-7-13-24;1-19-7-5-10-22(15-19)24-11-6-14-30(24)28(34)26(32)25(31)27(33)29-13-12-23-17-21(18-35-23)16-20-8-3-2-4-9-20;1-19-9-11-22(12-10-19)24-8-5-15-30(24)28(34)26(32)25(31)27(33)29-14-13-23-17-21(18-35-23)16-20-6-3-2-4-7-20;28-21-9-4-8-20(16-21)23-10-5-13-30(23)27(34)25(32)24(31)26(33)29-12-11-22-15-19(17-35-22)14-18-6-2-1-3-7-18;28-20(21(29)24(31)27-11-4-7-19(27)23-26-10-12-32-23)22(30)25-9-8-18-14-17(15-33-18)13-16-5-2-1-3-6-16;25-17(19(27)22-10-9-13-5-4-12-29-13)18(26)21(28)24-11-3-7-15(24)20-23-14-6-1-2-8-16(14)30-20;21-13-3-4-16(15(22)12-13)24-7-9-25(10-8-24)20(29)18(27)17(26)19(28)23-6-5-14-2-1-11-30-14;1-13(14-7-4-3-5-8-14)21(2)19(25)17(23)16(22)18(24)20-11-10-15-9-6-12-26-15;1-20(12-13-6-3-2-4-7-13)18(24)16(22)15(21)17(23)19-10-9-14-8-5-11-25-14;18-17-20-12(9-26-17)5-6-19-15(24)13(22)14(23)16(25)21-7-10-3-1-2-4-11(10)8-21/h1-15,22,27,29-30,38-39H,16-21H2,(H,34,40);2-5,7-10,15,17-18,24-26,31-32H,6,11-14,16H2,1H3,(H,29,33);2-4,6-7,9-12,17-18,24-26,31-32H,5,8,13-16H2,1H3,(H,29,33);1-4,6-9,15-17,23-25,31-32H,5,10-14H2,(H,29,33);1-3,5-6,10,12,14-15,19-21,28-29H,4,7-9,11,13H2,(H,25,30);1-2,4-6,8,12,15,17-18,25-26H,3,7,9-11H2,(H,22,27);1-4,11-12,17-18,26-27H,5-10H2,(H,23,28);3-9,12-13,16-17,22-23H,10-11H2,1-2H3,(H,20,24);2-8,11,15-16,21-22H,9-10,12H2,1H3,(H,19,23);1-4,9,13-14,22-23H,5-8H2,(H2,18,20)(H,19,24)/t27-,29-,30-;2*24?,25-,26-;23?,24-,25-;19-,20-,21-;15?,17-,18-;17-,18-;13-,16-,17-;15-,16-;13-,14-/m1111111111/s1.
What are the key properties of (2R,3R)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;benzyl (3S)-4-[(2R,3R)-4-[(4-benzyl-1,3-thiazol-2-yl)methylamino]-2,3-dihydroxy-4-oxobutanoyl]-3-phenylpiperazine-1-carboxylate;(2R,3R)-N-benzyl-2,3-dihydroxy-N-methyl-N'-(2-thiophen-2-ylethyl)butanediamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxy-4-[2-(3-methylphenyl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxy-4-[2-(4-methylphenyl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-4-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[4-(2,4-difluorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-2,3-dihydroxy-N-methyl-N-[(1R)-1-phenylethyl]-N'-(2-thiophen-2-ylethyl)butanediamide?
(2R,3R)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;benzyl (3S)-4-[(2R,3R)-4-[(4-benzyl-1,3-thiazol-2-yl)methylamino]-2,3-dihydroxy-4-oxobutanoyl]-3-phenylpiperazine-1-carboxylate;(2R,3R)-N-benzyl-2,3-dihydroxy-N-methyl-N'-(2-thiophen-2-ylethyl)butanediamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxy-4-[2-(3-methylphenyl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxy-4-[2-(4-methylphenyl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-4-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[4-(2,4-difluorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-2,3-dihydroxy-N-methyl-N-[(1R)-1-phenylethyl]-N'-(2-thiophen-2-ylethyl)butanediamide has a molecular weight of 4582.66 g/mol, XLogP of 20.48, 82 rotatable bonds, 31 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;benzyl (3S)-4-[(2R,3R)-4-[(4-benzyl-1,3-thiazol-2-yl)methylamino]-2,3-dihydroxy-4-oxobutanoyl]-3-phenylpiperazine-1-carboxylate;(2R,3R)-N-benzyl-2,3-dihydroxy-N-methyl-N'-(2-thiophen-2-ylethyl)butanediamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxy-4-[2-(3-methylphenyl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxy-4-[2-(4-methylphenyl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide;(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-4-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[4-(2,4-difluorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-2,3-dihydroxy-N-methyl-N-[(1R)-1-phenylethyl]-N'-(2-thiophen-2-ylethyl)butanediamide is sourced from PubChem (CID 158302342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).