(2R,3R)-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-3-hydroxy-2-methoxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-(imidazol-1-ylmethyl)thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-3-hydroxy-2-methoxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-(2,3-dihydro-1H-inden-2-yl)-2,3-dihydroxy-N-methyl-N'-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]butanediamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-(imidazol-1-ylmethyl)thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[5-[(2-phenylimidazol-1-yl)methyl]thiophen-2-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]thiophen-2-yl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]butanediamide;(2R,3R)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxo-4-piperazin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N'-methyl-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-N'-[(1R)-1-phenylethyl]butanediamide

C241H261Cl2F4N39O40S9 — CID 158397545

IUPAC(2R,3R)-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-3-hydroxy-2-methoxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-(imidazol-1-ylmethyl)thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-3-hydroxy-2-methoxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-(2,3-dihydro-1H-inden-2-yl)-2,3-dihydroxy-N-methyl-N'-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]butanediamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-(imidazol-1-ylmethyl)thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[5-[(2-phenylimidazol-1-yl)methyl]thiophen-2-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]thiophen-2-yl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]butanediamide;(2R,3R)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxo-4-piperazin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N'-methyl-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-N'-[(1R)-1-phenylethyl]butanediamide
SMILESCO[C@@H](C(=O)NCC1CCN(c2ccc(F)cc2C#N)CC1)[C@@H](O)C(=O)N1CCCC1.CO[C@@H](C(=O)NCc1cc(Cc2ccccc2Cl)cs1)[C@@H](O)C(=O)N1Cc2ccccc2C1.Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N(C)C)s1.Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N(C)C2Cc3ccccc3C2)s1.Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N(C)[C@H](C)c2ccccc2)s1.Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCNCC2)s1.O=C(NCc1cc(Cn2ccnc2)cs1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.O=C(NCc1ccc(Cn2c(C(F)(F)F)nc3ccccc32)s1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.O=C(NCc1ccc(Cn2ccnc2)s1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1.O=C(NCc1ccc(Cn2ccnc2-c2ccccc2)s1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1
InChIInChI=1S/C28H30N4O4S.C27H26N4O4S.C27H30N4O4S.C26H23F3N4O4S.C25H25ClN2O4S.C23H25ClN4O4S.C22H29FN4O4.C22H27N5O4S.C21H22N4O4S.C20H24N4O4S/c1-17-30-23-9-5-6-10-24(23)32(17)16-22-12-11-21(37-22)15-29-27(35)25(33)26(34)28(36)31(2)20-13-18-7-3-4-8-19(18)14-20;32-23(24(33)27(35)31-15-19-8-4-5-9-20(19)16-31)26(34)29-14-21-10-11-22(36-21)17-30-13-12-28-25(30)18-6-2-1-3-7-18;1-17(19-9-5-4-6-10-19)30(3)27(35)25(33)24(32)26(34)28-15-20-13-14-21(36-20)16-31-18(2)29-22-11-7-8-12-23(22)31;27-26(28,29)25-31-19-7-3-4-8-20(19)33(25)14-18-10-9-17(38-18)11-30-23(36)21(34)22(35)24(37)32-12-15-5-1-2-6-16(15)13-32;1-32-23(22(29)25(31)28-13-18-7-2-3-8-19(18)14-28)24(30)27-12-20-11-16(15-33-20)10-17-6-4-5-9-21(17)26;24-16-4-1-3-15(11-16)19-5-2-9-28(19)23(32)21(30)20(29)22(31)26-12-17-6-7-18(33-17)13-27-10-8-25-14-27;1-31-20(19(28)22(30)27-8-2-3-9-27)21(29)25-14-15-6-10-26(11-7-15)18-5-4-17(23)12-16(18)13-24;1-14-25-17-4-2-3-5-18(17)27(14)13-16-7-6-15(32-16)12-24-21(30)19(28)20(29)22(31)26-10-8-23-9-11-26;26-18(19(27)21(29)25-10-15-3-1-2-4-16(15)11-25)20(28)23-8-17-7-14(12-30-17)9-24-6-5-22-13-24;1-12-22-15-6-4-5-7-16(15)24(12)11-14-9-8-13(29-14)10-21-19(27)17(25)18(26)20(28)23(2)3/h3-12,20,25-26,33-34H,13-16H2,1-2H3,(H,29,35);1-13,23-24,32-33H,14-17H2,(H,29,34);4-14,17,24-25,32-33H,15-16H2,1-3H3,(H,28,34);1-10,21-22,34-35H,11-14H2,(H,30,36);2-9,11,15,22-23,29H,10,12-14H2,1H3,(H,27,30);1,3-4,6-8,10-11,14,19-21,29-30H,2,5,9,12-13H2,(H,26,31);4-5,12,15,19-20,28H,2-3,6-11,14H2,1H3,(H,25,29);2-7,19-20,23,28-29H,8-13H2,1H3,(H,24,30);1-7,12-13,18-19,26-27H,8-11H2,(H,23,28);4-9,17-18,25-26H,10-11H2,1-3H3,(H,21,27)/t25-,26-;23-,24-;17-,24-,25-;21-,22-;22-,23-;19-,20-,21-;2*19-,20-;18-,19-;17-,18-/m1111111111/s1
InChIKeyGXRTWAXNROZRKW-PPARCMKMSA-N
MW4779.47 g/mol
LogP19.90
Rot. Bonds76

About (2R,3R)-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-3-hydroxy-2-methoxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-(imidazol-1-ylmethyl)thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-3-hydroxy-2-methoxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-(2,3-dihydro-1H-inden-2-yl)-2,3-dihydroxy-N-methyl-N'-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]butanediamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-(imidazol-1-ylmethyl)thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[5-[(2-phenylimidazol-1-yl)methyl]thiophen-2-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]thiophen-2-yl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]butanediamide;(2R,3R)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxo-4-piperazin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N'-methyl-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-N'-[(1R)-1-phenylethyl]butanediamide

(2R,3R)-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-3-hydroxy-2-methoxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-(imidazol-1-ylmethyl)thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-3-hydroxy-2-methoxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-(2,3-dihydro-1H-inden-2-yl)-2,3-dihydroxy-N-methyl-N'-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]butanediamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-(imidazol-1-ylmethyl)thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[5-[(2-phenylimidazol-1-yl)methyl]thiophen-2-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]thiophen-2-yl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]butanediamide;(2R,3R)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxo-4-piperazin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N'-methyl-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-N'-[(1R)-1-phenylethyl]butanediamide (PubChem CID 158397545) has the molecular formula C241H261Cl2F4N39O40S9 and a molecular weight of 4779.47 g/mol. Its IUPAC name is (2R,3R)-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-3-hydroxy-2-methoxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-(imidazol-1-ylmethyl)thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-3-hydroxy-2-methoxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-(2,3-dihydro-1H-inden-2-yl)-2,3-dihydroxy-N-methyl-N'-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]butanediamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-(imidazol-1-ylmethyl)thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[5-[(2-phenylimidazol-1-yl)methyl]thiophen-2-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]thiophen-2-yl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]butanediamide;(2R,3R)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxo-4-piperazin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N'-methyl-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-N'-[(1R)-1-phenylethyl]butanediamide.

Molecular Properties

Compound Name(2R,3R)-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-3-hydroxy-2-methoxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-(imidazol-1-ylmethyl)thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-3-hydroxy-2-methoxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-(2,3-dihydro-1H-inden-2-yl)-2,3-dihydroxy-N-methyl-N'-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]butanediamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-(imidazol-1-ylmethyl)thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[5-[(2-phenylimidazol-1-yl)methyl]thiophen-2-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]thiophen-2-yl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]butanediamide;(2R,3R)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxo-4-piperazin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N'-methyl-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-N'-[(1R)-1-phenylethyl]butanediamide
PubChem CID158397545
Molecular FormulaC241H261Cl2F4N39O40S9
Molecular Weight4779.47 g/mol
Exact Mass4774.64
IUPAC Name(2R,3R)-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-3-hydroxy-2-methoxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-(imidazol-1-ylmethyl)thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-3-hydroxy-2-methoxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-(2,3-dihydro-1H-inden-2-yl)-2,3-dihydroxy-N-methyl-N'-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]butanediamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-(imidazol-1-ylmethyl)thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[5-[(2-phenylimidazol-1-yl)methyl]thiophen-2-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]thiophen-2-yl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]butanediamide;(2R,3R)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxo-4-piperazin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N'-methyl-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-N'-[(1R)-1-phenylethyl]butanediamide
SMILESCO[C@@H](C(=O)NCC1CCN(c2ccc(F)cc2C#N)CC1)[C@@H](O)C(=O)N1CCCC1.CO[C@@H](C(=O)NCc1cc(Cc2ccccc2Cl)cs1)[C@@H](O)C(=O)N1Cc2ccccc2C1.Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N(C)C)s1.Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N(C)C2Cc3ccccc3C2)s1.Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N(C)[C@H](C)c2ccccc2)s1.Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCNCC2)s1.O=C(NCc1cc(Cn2ccnc2)cs1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.O=C(NCc1ccc(Cn2c(C(F)(F)F)nc3ccccc32)s1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.O=C(NCc1ccc(Cn2ccnc2)s1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1.O=C(NCc1ccc(Cn2ccnc2-c2ccccc2)s1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1
InChIInChI=1S/C28H30N4O4S.C27H26N4O4S.C27H30N4O4S.C26H23F3N4O4S.C25H25ClN2O4S.C23H25ClN4O4S.C22H29FN4O4.C22H27N5O4S.C21H22N4O4S.C20H24N4O4S/c1-17-30-23-9-5-6-10-24(23)32(17)16-22-12-11-21(37-22)15-29-27(35)25(33)26(34)28(36)31(2)20-13-18-7-3-4-8-19(18)14-20;32-23(24(33)27(35)31-15-19-8-4-5-9-20(19)16-31)26(34)29-14-21-10-11-22(36-21)17-30-13-12-28-25(30)18-6-2-1-3-7-18;1-17(19-9-5-4-6-10-19)30(3)27(35)25(33)24(32)26(34)28-15-20-13-14-21(36-20)16-31-18(2)29-22-11-7-8-12-23(22)31;27-26(28,29)25-31-19-7-3-4-8-20(19)33(25)14-18-10-9-17(38-18)11-30-23(36)21(34)22(35)24(37)32-12-15-5-1-2-6-16(15)13-32;1-32-23(22(29)25(31)28-13-18-7-2-3-8-19(18)14-28)24(30)27-12-20-11-16(15-33-20)10-17-6-4-5-9-21(17)26;24-16-4-1-3-15(11-16)19-5-2-9-28(19)23(32)21(30)20(29)22(31)26-12-17-6-7-18(33-17)13-27-10-8-25-14-27;1-31-20(19(28)22(30)27-8-2-3-9-27)21(29)25-14-15-6-10-26(11-7-15)18-5-4-17(23)12-16(18)13-24;1-14-25-17-4-2-3-5-18(17)27(14)13-16-7-6-15(32-16)12-24-21(30)19(28)20(29)22(31)26-10-8-23-9-11-26;26-18(19(27)21(29)25-10-15-3-1-2-4-16(15)11-25)20(28)23-8-17-7-14(12-30-17)9-24-6-5-22-13-24;1-12-22-15-6-4-5-7-16(15)24(12)11-14-9-8-13(29-14)10-21-19(27)17(25)18(26)20(28)23(2)3/h3-12,20,25-26,33-34H,13-16H2,1-2H3,(H,29,35);1-13,23-24,32-33H,14-17H2,(H,29,34);4-14,17,24-25,32-33H,15-16H2,1-3H3,(H,28,34);1-10,21-22,34-35H,11-14H2,(H,30,36);2-9,11,15,22-23,29H,10,12-14H2,1H3,(H,27,30);1,3-4,6-8,10-11,14,19-21,29-30H,2,5,9,12-13H2,(H,26,31);4-5,12,15,19-20,28H,2-3,6-11,14H2,1H3,(H,25,29);2-7,19-20,23,28-29H,8-13H2,1H3,(H,24,30);1-7,12-13,18-19,26-27H,8-11H2,(H,23,28);4-9,17-18,25-26H,10-11H2,1-3H3,(H,21,27)/t25-,26-;23-,24-;17-,24-,25-;21-,22-;22-,23-;19-,20-,21-;2*19-,20-;18-,19-;17-,18-/m1111111111/s1
InChIKeyGXRTWAXNROZRKW-PPARCMKMSA-N
XLogP19.90
TPSA1058.32 Ų
H-Bond Donors29
H-Bond Acceptors68
Rotatable Bonds76
Heavy Atoms335
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004779.47
LogP ≤ 519.90
H-Bond Donors ≤ 529
H-Bond Acceptors ≤ 1068

Analyze (2R,3R)-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-3-hydroxy-2-methoxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-(imidazol-1-ylmethyl)thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-3-hydroxy-2-methoxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-(2,3-dihydro-1H-inden-2-yl)-2,3-dihydroxy-N-methyl-N'-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]butanediamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-(imidazol-1-ylmethyl)thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[5-[(2-phenylimidazol-1-yl)methyl]thiophen-2-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]thiophen-2-yl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]butanediamide;(2R,3R)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxo-4-piperazin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N'-methyl-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-N'-[(1R)-1-phenylethyl]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-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-3-hydroxy-2-methoxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-(imidazol-1-ylmethyl)thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-3-hydroxy-2-methoxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-(2,3-dihydro-1H-inden-2-yl)-2,3-dihydroxy-N-methyl-N'-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]butanediamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-(imidazol-1-ylmethyl)thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[5-[(2-phenylimidazol-1-yl)methyl]thiophen-2-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]thiophen-2-yl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]butanediamide;(2R,3R)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxo-4-piperazin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N'-methyl-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-N'-[(1R)-1-phenylethyl]butanediamide?
The IUPAC name of (2R,3R)-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-3-hydroxy-2-methoxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-(imidazol-1-ylmethyl)thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-3-hydroxy-2-methoxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-(2,3-dihydro-1H-inden-2-yl)-2,3-dihydroxy-N-methyl-N'-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]butanediamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-(imidazol-1-ylmethyl)thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[5-[(2-phenylimidazol-1-yl)methyl]thiophen-2-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]thiophen-2-yl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]butanediamide;(2R,3R)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxo-4-piperazin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N'-methyl-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-N'-[(1R)-1-phenylethyl]butanediamide (CID 158397545) is (2R,3R)-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-3-hydroxy-2-methoxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-(imidazol-1-ylmethyl)thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-3-hydroxy-2-methoxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-(2,3-dihydro-1H-inden-2-yl)-2,3-dihydroxy-N-methyl-N'-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]butanediamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-(imidazol-1-ylmethyl)thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[5-[(2-phenylimidazol-1-yl)methyl]thiophen-2-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]thiophen-2-yl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]butanediamide;(2R,3R)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxo-4-piperazin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N'-methyl-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-N'-[(1R)-1-phenylethyl]butanediamide.
What is the SMILES notation for (2R,3R)-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-3-hydroxy-2-methoxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-(imidazol-1-ylmethyl)thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-3-hydroxy-2-methoxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-(2,3-dihydro-1H-inden-2-yl)-2,3-dihydroxy-N-methyl-N'-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]butanediamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-(imidazol-1-ylmethyl)thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[5-[(2-phenylimidazol-1-yl)methyl]thiophen-2-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]thiophen-2-yl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]butanediamide;(2R,3R)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxo-4-piperazin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N'-methyl-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-N'-[(1R)-1-phenylethyl]butanediamide?
The canonical SMILES for (2R,3R)-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-3-hydroxy-2-methoxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-(imidazol-1-ylmethyl)thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-3-hydroxy-2-methoxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-(2,3-dihydro-1H-inden-2-yl)-2,3-dihydroxy-N-methyl-N'-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]butanediamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-(imidazol-1-ylmethyl)thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[5-[(2-phenylimidazol-1-yl)methyl]thiophen-2-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]thiophen-2-yl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]butanediamide;(2R,3R)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxo-4-piperazin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N'-methyl-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-N'-[(1R)-1-phenylethyl]butanediamide is CO[C@@H](C(=O)NCC1CCN(c2ccc(F)cc2C#N)CC1)[C@@H](O)C(=O)N1CCCC1.CO[C@@H](C(=O)NCc1cc(Cc2ccccc2Cl)cs1)[C@@H](O)C(=O)N1Cc2ccccc2C1.Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N(C)C)s1.Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N(C)C2Cc3ccccc3C2)s1.Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N(C)[C@H](C)c2ccccc2)s1.Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCNCC2)s1.O=C(NCc1cc(Cn2ccnc2)cs1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.O=C(NCc1ccc(Cn2c(C(F)(F)F)nc3ccccc32)s1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.O=C(NCc1ccc(Cn2ccnc2)s1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1.O=C(NCc1ccc(Cn2ccnc2-c2ccccc2)s1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.
What is the InChIKey of (2R,3R)-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-3-hydroxy-2-methoxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-(imidazol-1-ylmethyl)thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-3-hydroxy-2-methoxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-(2,3-dihydro-1H-inden-2-yl)-2,3-dihydroxy-N-methyl-N'-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]butanediamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-(imidazol-1-ylmethyl)thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[5-[(2-phenylimidazol-1-yl)methyl]thiophen-2-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]thiophen-2-yl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]butanediamide;(2R,3R)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxo-4-piperazin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N'-methyl-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-N'-[(1R)-1-phenylethyl]butanediamide?
The InChIKey is GXRTWAXNROZRKW-PPARCMKMSA-N. The full InChI is InChI=1S/C28H30N4O4S.C27H26N4O4S.C27H30N4O4S.C26H23F3N4O4S.C25H25ClN2O4S.C23H25ClN4O4S.C22H29FN4O4.C22H27N5O4S.C21H22N4O4S.C20H24N4O4S/c1-17-30-23-9-5-6-10-24(23)32(17)16-22-12-11-21(37-22)15-29-27(35)25(33)26(34)28(36)31(2)20-13-18-7-3-4-8-19(18)14-20;32-23(24(33)27(35)31-15-19-8-4-5-9-20(19)16-31)26(34)29-14-21-10-11-22(36-21)17-30-13-12-28-25(30)18-6-2-1-3-7-18;1-17(19-9-5-4-6-10-19)30(3)27(35)25(33)24(32)26(34)28-15-20-13-14-21(36-20)16-31-18(2)29-22-11-7-8-12-23(22)31;27-26(28,29)25-31-19-7-3-4-8-20(19)33(25)14-18-10-9-17(38-18)11-30-23(36)21(34)22(35)24(37)32-12-15-5-1-2-6-16(15)13-32;1-32-23(22(29)25(31)28-13-18-7-2-3-8-19(18)14-28)24(30)27-12-20-11-16(15-33-20)10-17-6-4-5-9-21(17)26;24-16-4-1-3-15(11-16)19-5-2-9-28(19)23(32)21(30)20(29)22(31)26-12-17-6-7-18(33-17)13-27-10-8-25-14-27;1-31-20(19(28)22(30)27-8-2-3-9-27)21(29)25-14-15-6-10-26(11-7-15)18-5-4-17(23)12-16(18)13-24;1-14-25-17-4-2-3-5-18(17)27(14)13-16-7-6-15(32-16)12-24-21(30)19(28)20(29)22(31)26-10-8-23-9-11-26;26-18(19(27)21(29)25-10-15-3-1-2-4-16(15)11-25)20(28)23-8-17-7-14(12-30-17)9-24-6-5-22-13-24;1-12-22-15-6-4-5-7-16(15)24(12)11-14-9-8-13(29-14)10-21-19(27)17(25)18(26)20(28)23(2)3/h3-12,20,25-26,33-34H,13-16H2,1-2H3,(H,29,35);1-13,23-24,32-33H,14-17H2,(H,29,34);4-14,17,24-25,32-33H,15-16H2,1-3H3,(H,28,34);1-10,21-22,34-35H,11-14H2,(H,30,36);2-9,11,15,22-23,29H,10,12-14H2,1H3,(H,27,30);1,3-4,6-8,10-11,14,19-21,29-30H,2,5,9,12-13H2,(H,26,31);4-5,12,15,19-20,28H,2-3,6-11,14H2,1H3,(H,25,29);2-7,19-20,23,28-29H,8-13H2,1H3,(H,24,30);1-7,12-13,18-19,26-27H,8-11H2,(H,23,28);4-9,17-18,25-26H,10-11H2,1-3H3,(H,21,27)/t25-,26-;23-,24-;17-,24-,25-;21-,22-;22-,23-;19-,20-,21-;2*19-,20-;18-,19-;17-,18-/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)-3-hydroxy-2-methoxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-(imidazol-1-ylmethyl)thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-3-hydroxy-2-methoxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-(2,3-dihydro-1H-inden-2-yl)-2,3-dihydroxy-N-methyl-N'-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]butanediamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-(imidazol-1-ylmethyl)thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[5-[(2-phenylimidazol-1-yl)methyl]thiophen-2-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]thiophen-2-yl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]butanediamide;(2R,3R)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxo-4-piperazin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N'-methyl-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-N'-[(1R)-1-phenylethyl]butanediamide?
(2R,3R)-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-3-hydroxy-2-methoxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-(imidazol-1-ylmethyl)thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-3-hydroxy-2-methoxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-(2,3-dihydro-1H-inden-2-yl)-2,3-dihydroxy-N-methyl-N'-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]butanediamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-(imidazol-1-ylmethyl)thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[5-[(2-phenylimidazol-1-yl)methyl]thiophen-2-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]thiophen-2-yl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]butanediamide;(2R,3R)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxo-4-piperazin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N'-methyl-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-N'-[(1R)-1-phenylethyl]butanediamide has a molecular weight of 4779.47 g/mol, XLogP of 19.90, 76 rotatable bonds, 29 hydrogen bond donors, and 68 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)-3-hydroxy-2-methoxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-(imidazol-1-ylmethyl)thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-3-hydroxy-2-methoxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-(2,3-dihydro-1H-inden-2-yl)-2,3-dihydroxy-N-methyl-N'-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]butanediamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-(imidazol-1-ylmethyl)thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[5-[(2-phenylimidazol-1-yl)methyl]thiophen-2-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]thiophen-2-yl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]butanediamide;(2R,3R)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxo-4-piperazin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N'-methyl-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-N'-[(1R)-1-phenylethyl]butanediamide is sourced from PubChem (CID 158397545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).