(2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(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)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-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-(3-pyrrolidin-1-ylphenyl)pyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide

C203H234ClN37O28S7 — CID 157081296

IUPAC(2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(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)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-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-(3-pyrrolidin-1-ylphenyl)pyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide
SMILESCc1nc2ccccc2n1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(CN3CCCC3)c2)n1.Cc1nc2ccccc2n1Cc1csc(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(N3CCCC3)c2)n1.Cc1nc2ccccc2n1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(N3CCN(C)CC3)c2)n1.Cc1nc2ccccc2n1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2ccccc2)n1.O=C(NCCc1nc(Cc2ccccc2)cs1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1ccccc1.O=C(NCCc1nc(Cc2ccccc2)cs1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C32H39N7O4S.C32H38N6O4S.C31H36N6O4S.C29H34N6O4S.C27H29N5O4S.C26H29ClN4O4S.C26H29N3O4S/c1-21-34-25-9-3-4-10-27(25)39(21)19-23-20-44-28(35-23)18-33-31(42)29(40)30(41)32(43)38-12-6-11-26(38)22-7-5-8-24(17-22)37-15-13-36(2)14-16-37;1-21-34-25-10-2-3-11-27(25)38(21)19-24-20-43-28(35-24)17-33-31(41)29(39)30(40)32(42)37-15-7-12-26(37)23-9-6-8-22(16-23)18-36-13-4-5-14-36;1-20-33-24-10-2-3-11-26(24)37(20)18-22-19-42-27(34-22)17-32-30(40)28(38)29(39)31(41)36-15-7-12-25(36)21-8-6-9-23(16-21)35-13-4-5-14-35;1-18-31-22-10-4-5-11-24(22)35(18)16-20-17-40-25(32-20)15-30-28(38)26(36)27(37)29(39)34-13-7-12-23(34)19-8-6-9-21(14-19)33(2)3;1-17-29-20-10-5-6-11-22(20)32(17)15-19-16-37-23(30-19)14-28-26(35)24(33)25(34)27(36)31-13-7-12-21(31)18-8-3-2-4-9-18;27-20-8-4-5-9-21(20)30-12-14-31(15-13-30)26(35)24(33)23(32)25(34)28-11-10-22-29-19(17-36-22)16-18-6-2-1-3-7-18;30-23(24(31)26(33)29-15-7-12-21(29)19-10-5-2-6-11-19)25(32)27-14-13-22-28-20(17-34-22)16-18-8-3-1-4-9-18/h3-5,7-10,17,20,26,29-30,40-41H,6,11-16,18-19H2,1-2H3,(H,33,42);2-3,6,8-11,16,20,26,29-30,39-40H,4-5,7,12-15,17-19H2,1H3,(H,33,41);2-3,6,8-11,16,19,25,28-29,38-39H,4-5,7,12-15,17-18H2,1H3,(H,32,40);4-6,8-11,14,17,23,26-27,36-37H,7,12-13,15-16H2,1-3H3,(H,30,38);2-6,8-11,16,21,24-25,33-34H,7,12-15H2,1H3,(H,28,35);1-9,17,23-24,32-33H,10-16H2,(H,28,34);1-6,8-11,17,21,23-24,30-31H,7,12-16H2,(H,27,32)/t2*26?,29-,30-;25?,28-,29-;23?,26-,27-;21?,24-,25-;23-,24-;21?,23-,24-/m1111111/s1
InChIKeyADOQHWRJOIYSKK-DDEFWADWSA-N
MW3900.26 g/mol
LogP18.36
Rot. Bonds63

About (2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(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)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-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-(3-pyrrolidin-1-ylphenyl)pyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide

(2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(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)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-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-(3-pyrrolidin-1-ylphenyl)pyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide (PubChem CID 157081296) has the molecular formula C203H234ClN37O28S7 and a molecular weight of 3900.26 g/mol. Its IUPAC name is (2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(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)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-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-(3-pyrrolidin-1-ylphenyl)pyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide.

Molecular Properties

Compound Name(2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(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)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-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-(3-pyrrolidin-1-ylphenyl)pyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide
PubChem CID157081296
Molecular FormulaC203H234ClN37O28S7
Molecular Weight3900.26 g/mol
Exact Mass3896.58
IUPAC Name(2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(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)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-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-(3-pyrrolidin-1-ylphenyl)pyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide
SMILESCc1nc2ccccc2n1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(CN3CCCC3)c2)n1.Cc1nc2ccccc2n1Cc1csc(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(N3CCCC3)c2)n1.Cc1nc2ccccc2n1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(N3CCN(C)CC3)c2)n1.Cc1nc2ccccc2n1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2ccccc2)n1.O=C(NCCc1nc(Cc2ccccc2)cs1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1ccccc1.O=C(NCCc1nc(Cc2ccccc2)cs1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C32H39N7O4S.C32H38N6O4S.C31H36N6O4S.C29H34N6O4S.C27H29N5O4S.C26H29ClN4O4S.C26H29N3O4S/c1-21-34-25-9-3-4-10-27(25)39(21)19-23-20-44-28(35-23)18-33-31(42)29(40)30(41)32(43)38-12-6-11-26(38)22-7-5-8-24(17-22)37-15-13-36(2)14-16-37;1-21-34-25-10-2-3-11-27(25)38(21)19-24-20-43-28(35-24)17-33-31(41)29(39)30(40)32(42)37-15-7-12-26(37)23-9-6-8-22(16-23)18-36-13-4-5-14-36;1-20-33-24-10-2-3-11-26(24)37(20)18-22-19-42-27(34-22)17-32-30(40)28(38)29(39)31(41)36-15-7-12-25(36)21-8-6-9-23(16-21)35-13-4-5-14-35;1-18-31-22-10-4-5-11-24(22)35(18)16-20-17-40-25(32-20)15-30-28(38)26(36)27(37)29(39)34-13-7-12-23(34)19-8-6-9-21(14-19)33(2)3;1-17-29-20-10-5-6-11-22(20)32(17)15-19-16-37-23(30-19)14-28-26(35)24(33)25(34)27(36)31-13-7-12-21(31)18-8-3-2-4-9-18;27-20-8-4-5-9-21(20)30-12-14-31(15-13-30)26(35)24(33)23(32)25(34)28-11-10-22-29-19(17-36-22)16-18-6-2-1-3-7-18;30-23(24(31)26(33)29-15-7-12-21(29)19-10-5-2-6-11-19)25(32)27-14-13-22-28-20(17-34-22)16-18-8-3-1-4-9-18/h3-5,7-10,17,20,26,29-30,40-41H,6,11-16,18-19H2,1-2H3,(H,33,42);2-3,6,8-11,16,20,26,29-30,39-40H,4-5,7,12-15,17-19H2,1H3,(H,33,41);2-3,6,8-11,16,19,25,28-29,38-39H,4-5,7,12-15,17-18H2,1H3,(H,32,40);4-6,8-11,14,17,23,26-27,36-37H,7,12-13,15-16H2,1-3H3,(H,30,38);2-6,8-11,16,21,24-25,33-34H,7,12-15H2,1H3,(H,28,35);1-9,17,23-24,32-33H,10-16H2,(H,28,34);1-6,8-11,17,21,23-24,30-31H,7,12-16H2,(H,27,32)/t2*26?,29-,30-;25?,28-,29-;23?,26-,27-;21?,24-,25-;23-,24-;21?,23-,24-/m1111111/s1
InChIKeyADOQHWRJOIYSKK-DDEFWADWSA-N
XLogP18.36
TPSA827.86 Ų
H-Bond Donors21
H-Bond Acceptors58
Rotatable Bonds63
Heavy Atoms276
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003900.26
LogP ≤ 518.36
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1058

Analyze (2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(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)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-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-(3-pyrrolidin-1-ylphenyl)pyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide with MolForge

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

Launch Full Analysis

Related Compounds

(3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-3-hydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide
CID 70329162
(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide
CID 58751817
(2R,3R)-4-(4-acetyl-4-phenylpiperidin-1-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-N-[[5-[(5-chloro-2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]thiophen-2-yl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-[3-(1,3-thiazol-2-yl)thiophen-2-yl]phenyl]methyl]butanamide;(2R,3R)-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxo-4-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide
CID 160532725
(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-(2-methylbenzimidazol-1-yl)phenyl]methyl]-4-oxobutanamide
CID 54584511
N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-4-[4-(2-chlorophenyl)piperazin-1-yl]-4-oxobutanamide
CID 70330287
(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxy-4-[2-(4-methylphenyl)pyrrolidin-1-yl]-4-oxobutanamide
CID 11705898
(3R)-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-3-hydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide
CID 70330115
[(2R,3R)-3-acetyloxy-4-[4-(2-chlorophenyl)piperazin-1-yl]-1-[2-[4-[(2-methylquinolin-4-yl)oxymethyl]-1,3-thiazol-2-yl]ethylamino]-1,4-dioxobutan-2-yl] acetate
CID 59134527
benzyl (3S)-4-[(2R,3R)-4-[(4-benzyl-1,3-thiazol-2-yl)methylamino]-2,3-dihydroxy-4-oxobutanoyl]-3-methylpiperazine-1-carboxylate
CID 149235566
(2R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-3-yl]methyl]-4-oxobutanamide
CID 70330722
(3R)-3-hydroxy-4-oxo-N-[[4-[(2-phenylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-4-(2-phenylpyrrolidin-1-yl)butanamide
CID 70330556
3-[(2S)-1-[(2R,3R)-2,3-dihydroxy-4-[[4-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]methylamino]-4-oxobutanoyl]pyrrolidin-2-yl]-N-[2-(methylamino)ethyl]cyclohexane-1-carboxamide
CID 143154272

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(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)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-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-(3-pyrrolidin-1-ylphenyl)pyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide?
The IUPAC name of (2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(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)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-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-(3-pyrrolidin-1-ylphenyl)pyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide (CID 157081296) is (2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(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)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-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-(3-pyrrolidin-1-ylphenyl)pyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide.
What is the SMILES notation for (2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(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)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-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-(3-pyrrolidin-1-ylphenyl)pyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide?
The canonical SMILES for (2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(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)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-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-(3-pyrrolidin-1-ylphenyl)pyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide is Cc1nc2ccccc2n1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(CN3CCCC3)c2)n1.Cc1nc2ccccc2n1Cc1csc(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(N3CCCC3)c2)n1.Cc1nc2ccccc2n1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(N3CCN(C)CC3)c2)n1.Cc1nc2ccccc2n1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2ccccc2)n1.O=C(NCCc1nc(Cc2ccccc2)cs1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1ccccc1.O=C(NCCc1nc(Cc2ccccc2)cs1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of (2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(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)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-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-(3-pyrrolidin-1-ylphenyl)pyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide?
The InChIKey is ADOQHWRJOIYSKK-DDEFWADWSA-N. The full InChI is InChI=1S/C32H39N7O4S.C32H38N6O4S.C31H36N6O4S.C29H34N6O4S.C27H29N5O4S.C26H29ClN4O4S.C26H29N3O4S/c1-21-34-25-9-3-4-10-27(25)39(21)19-23-20-44-28(35-23)18-33-31(42)29(40)30(41)32(43)38-12-6-11-26(38)22-7-5-8-24(17-22)37-15-13-36(2)14-16-37;1-21-34-25-10-2-3-11-27(25)38(21)19-24-20-43-28(35-24)17-33-31(41)29(39)30(40)32(42)37-15-7-12-26(37)23-9-6-8-22(16-23)18-36-13-4-5-14-36;1-20-33-24-10-2-3-11-26(24)37(20)18-22-19-42-27(34-22)17-32-30(40)28(38)29(39)31(41)36-15-7-12-25(36)21-8-6-9-23(16-21)35-13-4-5-14-35;1-18-31-22-10-4-5-11-24(22)35(18)16-20-17-40-25(32-20)15-30-28(38)26(36)27(37)29(39)34-13-7-12-23(34)19-8-6-9-21(14-19)33(2)3;1-17-29-20-10-5-6-11-22(20)32(17)15-19-16-37-23(30-19)14-28-26(35)24(33)25(34)27(36)31-13-7-12-21(31)18-8-3-2-4-9-18;27-20-8-4-5-9-21(20)30-12-14-31(15-13-30)26(35)24(33)23(32)25(34)28-11-10-22-29-19(17-36-22)16-18-6-2-1-3-7-18;30-23(24(31)26(33)29-15-7-12-21(29)19-10-5-2-6-11-19)25(32)27-14-13-22-28-20(17-34-22)16-18-8-3-1-4-9-18/h3-5,7-10,17,20,26,29-30,40-41H,6,11-16,18-19H2,1-2H3,(H,33,42);2-3,6,8-11,16,20,26,29-30,39-40H,4-5,7,12-15,17-19H2,1H3,(H,33,41);2-3,6,8-11,16,19,25,28-29,38-39H,4-5,7,12-15,17-18H2,1H3,(H,32,40);4-6,8-11,14,17,23,26-27,36-37H,7,12-13,15-16H2,1-3H3,(H,30,38);2-6,8-11,16,21,24-25,33-34H,7,12-15H2,1H3,(H,28,35);1-9,17,23-24,32-33H,10-16H2,(H,28,34);1-6,8-11,17,21,23-24,30-31H,7,12-16H2,(H,27,32)/t2*26?,29-,30-;25?,28-,29-;23?,26-,27-;21?,24-,25-;23-,24-;21?,23-,24-/m1111111/s1.
What are the key properties of (2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(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)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-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-(3-pyrrolidin-1-ylphenyl)pyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide?
(2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(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)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-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-(3-pyrrolidin-1-ylphenyl)pyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide has a molecular weight of 3900.26 g/mol, XLogP of 18.36, 63 rotatable bonds, 21 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(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)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-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-(3-pyrrolidin-1-ylphenyl)pyrrolidin-1-yl]butanamide;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide is sourced from PubChem (CID 157081296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).