(2R,3R)-N-[[4-[(6-chloro-2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3-thiazol-2-yl]methyl]butanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,5-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,6-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide

C184H217ClF3N37O24S6 — CID 158753556

IUPAC(2R,3R)-N-[[4-[(6-chloro-2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3-thiazol-2-yl]methyl]butanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,5-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,6-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide
SMILESCN(C)c1cccc(C2CCCN2C(=O)[C@H](O)[C@@H](O)C(=O)NCc2nc(Cn3c(C(F)(F)F)nc4ccccc43)cs2)c1.Cc1ccc2c(c1)nc(C)n2Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(N(C)C)c2)n1.Cc1ccc2nc(C)n(Cc3csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N4CCCC4c4cccc(N(C)C)c4)n3)c2c1.Cc1nc2ccc(Cl)cc2n1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(N(C)C)c2)n1.Cc1nc2ccccc2n1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(CN3CCCCC3)c2)n1.Cc1nc2ccccc2n1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(CN3CCN(C)CC3)c2)n1
InChIInChI=1S/C33H41N7O4S.C33H40N6O4S.2C30H36N6O4S.C29H33ClN6O4S.C29H31F3N6O4S/c1-22-35-26-9-3-4-10-28(26)40(22)20-25-21-45-29(36-25)18-34-32(43)30(41)31(42)33(44)39-12-6-11-27(39)24-8-5-7-23(17-24)19-38-15-13-37(2)14-16-38;1-22-35-26-11-3-4-12-28(26)39(22)20-25-21-44-29(36-25)18-34-32(42)30(40)31(41)33(43)38-16-8-13-27(38)24-10-7-9-23(17-24)19-37-14-5-2-6-15-37;1-18-10-11-25-23(13-18)32-19(2)36(25)16-21-17-41-26(33-21)15-31-29(39)27(37)28(38)30(40)35-12-6-9-24(35)20-7-5-8-22(14-20)34(3)4;1-18-10-11-23-25(13-18)36(19(2)32-23)16-21-17-41-26(33-21)15-31-29(39)27(37)28(38)30(40)35-12-6-9-24(35)20-7-5-8-22(14-20)34(3)4;1-17-32-22-10-9-19(30)13-24(22)36(17)15-20-16-41-25(33-20)14-31-28(39)26(37)27(38)29(40)35-11-5-8-23(35)18-6-4-7-21(12-18)34(2)3;1-36(2)19-8-5-7-17(13-19)21-11-6-12-37(21)27(42)25(40)24(39)26(41)33-14-23-34-18(16-43-23)15-38-22-10-4-3-9-20(22)35-28(38)29(30,31)32/h3-5,7-10,17,21,27,30-31,41-42H,6,11-16,18-20H2,1-2H3,(H,34,43);3-4,7,9-12,17,21,27,30-31,40-41H,2,5-6,8,13-16,18-20H2,1H3,(H,34,42);2*5,7-8,10-11,13-14,17,24,27-28,37-38H,6,9,12,15-16H2,1-4H3,(H,31,39);4,6-7,9-10,12-13,16,23,26-27,37-38H,5,8,11,14-15H2,1-3H3,(H,31,39);3-5,7-10,13,16,21,24-25,39-40H,6,11-12,14-15H2,1-2H3,(H,33,41)/t2*27?,30-,31-;2*24?,27-,28-;23?,26-,27-;21?,24-,25-/m111111/s1
InChIKeyINTWKEYTVUUDGQ-SACBCELUSA-N
MW3615.84 g/mol
LogP18.29
Rot. Bonds56

About (2R,3R)-N-[[4-[(6-chloro-2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3-thiazol-2-yl]methyl]butanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,5-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,6-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide

(2R,3R)-N-[[4-[(6-chloro-2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3-thiazol-2-yl]methyl]butanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,5-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,6-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide (PubChem CID 158753556) has the molecular formula C184H217ClF3N37O24S6 and a molecular weight of 3615.84 g/mol. Its IUPAC name is (2R,3R)-N-[[4-[(6-chloro-2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3-thiazol-2-yl]methyl]butanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,5-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,6-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide.

Molecular Properties

Compound Name(2R,3R)-N-[[4-[(6-chloro-2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3-thiazol-2-yl]methyl]butanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,5-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,6-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide
PubChem CID158753556
Molecular FormulaC184H217ClF3N37O24S6
Molecular Weight3615.84 g/mol
Exact Mass3612.49
IUPAC Name(2R,3R)-N-[[4-[(6-chloro-2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3-thiazol-2-yl]methyl]butanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,5-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,6-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide
SMILESCN(C)c1cccc(C2CCCN2C(=O)[C@H](O)[C@@H](O)C(=O)NCc2nc(Cn3c(C(F)(F)F)nc4ccccc43)cs2)c1.Cc1ccc2c(c1)nc(C)n2Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(N(C)C)c2)n1.Cc1ccc2nc(C)n(Cc3csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N4CCCC4c4cccc(N(C)C)c4)n3)c2c1.Cc1nc2ccc(Cl)cc2n1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(N(C)C)c2)n1.Cc1nc2ccccc2n1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(CN3CCCCC3)c2)n1.Cc1nc2ccccc2n1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(CN3CCN(C)CC3)c2)n1
InChIInChI=1S/C33H41N7O4S.C33H40N6O4S.2C30H36N6O4S.C29H33ClN6O4S.C29H31F3N6O4S/c1-22-35-26-9-3-4-10-28(26)40(22)20-25-21-45-29(36-25)18-34-32(43)30(41)31(42)33(44)39-12-6-11-27(39)24-8-5-7-23(17-24)19-38-15-13-37(2)14-16-38;1-22-35-26-11-3-4-12-28(26)39(22)20-25-21-44-29(36-25)18-34-32(42)30(40)31(41)33(43)38-16-8-13-27(38)24-10-7-9-23(17-24)19-37-14-5-2-6-15-37;1-18-10-11-25-23(13-18)32-19(2)36(25)16-21-17-41-26(33-21)15-31-29(39)27(37)28(38)30(40)35-12-6-9-24(35)20-7-5-8-22(14-20)34(3)4;1-18-10-11-23-25(13-18)36(19(2)32-23)16-21-17-41-26(33-21)15-31-29(39)27(37)28(38)30(40)35-12-6-9-24(35)20-7-5-8-22(14-20)34(3)4;1-17-32-22-10-9-19(30)13-24(22)36(17)15-20-16-41-25(33-20)14-31-28(39)26(37)27(38)29(40)35-11-5-8-23(35)18-6-4-7-21(12-18)34(2)3;1-36(2)19-8-5-7-17(13-19)21-11-6-12-37(21)27(42)25(40)24(39)26(41)33-14-23-34-18(16-43-23)15-38-22-10-4-3-9-20(22)35-28(38)29(30,31)32/h3-5,7-10,17,21,27,30-31,41-42H,6,11-16,18-20H2,1-2H3,(H,34,43);3-4,7,9-12,17,21,27,30-31,40-41H,2,5-6,8,13-16,18-20H2,1H3,(H,34,42);2*5,7-8,10-11,13-14,17,24,27-28,37-38H,6,9,12,15-16H2,1-4H3,(H,31,39);4,6-7,9-10,12-13,16,23,26-27,37-38H,5,8,11,14-15H2,1-3H3,(H,31,39);3-5,7-10,13,16,21,24-25,39-40H,6,11-12,14-15H2,1-2H3,(H,33,41)/t2*27?,30-,31-;2*24?,27-,28-;23?,26-,27-;21?,24-,25-/m111111/s1
InChIKeyINTWKEYTVUUDGQ-SACBCELUSA-N
XLogP18.29
TPSA746.16 Ų
H-Bond Donors18
H-Bond Acceptors55
Rotatable Bonds56
Heavy Atoms255
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003615.84
LogP ≤ 518.29
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1055

Analyze (2R,3R)-N-[[4-[(6-chloro-2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3-thiazol-2-yl]methyl]butanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,5-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,6-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[[4-[(6-chloro-2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3-thiazol-2-yl]methyl]butanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,5-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,6-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide?
The IUPAC name of (2R,3R)-N-[[4-[(6-chloro-2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3-thiazol-2-yl]methyl]butanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,5-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,6-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide (CID 158753556) is (2R,3R)-N-[[4-[(6-chloro-2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3-thiazol-2-yl]methyl]butanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,5-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,6-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide.
What is the SMILES notation for (2R,3R)-N-[[4-[(6-chloro-2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3-thiazol-2-yl]methyl]butanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,5-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,6-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide?
The canonical SMILES for (2R,3R)-N-[[4-[(6-chloro-2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3-thiazol-2-yl]methyl]butanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,5-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,6-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide is CN(C)c1cccc(C2CCCN2C(=O)[C@H](O)[C@@H](O)C(=O)NCc2nc(Cn3c(C(F)(F)F)nc4ccccc43)cs2)c1.Cc1ccc2c(c1)nc(C)n2Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(N(C)C)c2)n1.Cc1ccc2nc(C)n(Cc3csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N4CCCC4c4cccc(N(C)C)c4)n3)c2c1.Cc1nc2ccc(Cl)cc2n1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(N(C)C)c2)n1.Cc1nc2ccccc2n1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(CN3CCCCC3)c2)n1.Cc1nc2ccccc2n1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(CN3CCN(C)CC3)c2)n1.
What is the InChIKey of (2R,3R)-N-[[4-[(6-chloro-2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3-thiazol-2-yl]methyl]butanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,5-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,6-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide?
The InChIKey is INTWKEYTVUUDGQ-SACBCELUSA-N. The full InChI is InChI=1S/C33H41N7O4S.C33H40N6O4S.2C30H36N6O4S.C29H33ClN6O4S.C29H31F3N6O4S/c1-22-35-26-9-3-4-10-28(26)40(22)20-25-21-45-29(36-25)18-34-32(43)30(41)31(42)33(44)39-12-6-11-27(39)24-8-5-7-23(17-24)19-38-15-13-37(2)14-16-38;1-22-35-26-11-3-4-12-28(26)39(22)20-25-21-44-29(36-25)18-34-32(42)30(40)31(41)33(43)38-16-8-13-27(38)24-10-7-9-23(17-24)19-37-14-5-2-6-15-37;1-18-10-11-25-23(13-18)32-19(2)36(25)16-21-17-41-26(33-21)15-31-29(39)27(37)28(38)30(40)35-12-6-9-24(35)20-7-5-8-22(14-20)34(3)4;1-18-10-11-23-25(13-18)36(19(2)32-23)16-21-17-41-26(33-21)15-31-29(39)27(37)28(38)30(40)35-12-6-9-24(35)20-7-5-8-22(14-20)34(3)4;1-17-32-22-10-9-19(30)13-24(22)36(17)15-20-16-41-25(33-20)14-31-28(39)26(37)27(38)29(40)35-11-5-8-23(35)18-6-4-7-21(12-18)34(2)3;1-36(2)19-8-5-7-17(13-19)21-11-6-12-37(21)27(42)25(40)24(39)26(41)33-14-23-34-18(16-43-23)15-38-22-10-4-3-9-20(22)35-28(38)29(30,31)32/h3-5,7-10,17,21,27,30-31,41-42H,6,11-16,18-20H2,1-2H3,(H,34,43);3-4,7,9-12,17,21,27,30-31,40-41H,2,5-6,8,13-16,18-20H2,1H3,(H,34,42);2*5,7-8,10-11,13-14,17,24,27-28,37-38H,6,9,12,15-16H2,1-4H3,(H,31,39);4,6-7,9-10,12-13,16,23,26-27,37-38H,5,8,11,14-15H2,1-3H3,(H,31,39);3-5,7-10,13,16,21,24-25,39-40H,6,11-12,14-15H2,1-2H3,(H,33,41)/t2*27?,30-,31-;2*24?,27-,28-;23?,26-,27-;21?,24-,25-/m111111/s1.
What are the key properties of (2R,3R)-N-[[4-[(6-chloro-2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3-thiazol-2-yl]methyl]butanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,5-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,6-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide?
(2R,3R)-N-[[4-[(6-chloro-2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3-thiazol-2-yl]methyl]butanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,5-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,6-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide has a molecular weight of 3615.84 g/mol, XLogP of 18.29, 56 rotatable bonds, 18 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[[4-[(6-chloro-2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3-thiazol-2-yl]methyl]butanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,5-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[4-[(2,6-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide is sourced from PubChem (CID 158753556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).