(2R,3R)-N-[[4-[(5-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)-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)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-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

C135H143Cl2F6N23O21S4 — CID 162092372

IUPAC(2R,3R)-N-[[4-[(5-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)-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)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-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
SMILESCc1nc2cc(Cl)ccc2n1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(N(C)C)c2)n1.Cc1nc2ccc(Cl)cc2n1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(N(C)C)c2)n1.Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)s1.O=C(NCC1CCN(c2ccccc2OC(F)(F)F)CC1)[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
InChIInChI=1S/2C29H33ClN6O4S.C26H23F3N4O4S.C26H26N4O4S.C25H28F3N3O5/c1-17-32-22-13-19(30)9-10-24(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;1-17-32-22-10-9-19(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;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;1-16-28-21-8-4-5-9-22(21)30(16)15-20-11-10-19(35-20)12-27-25(33)23(31)24(32)26(34)29-13-17-6-2-3-7-18(17)14-29;26-25(27,28)36-20-8-4-3-7-19(20)30-11-9-16(10-12-30)13-29-23(34)21(32)22(33)24(35)31-14-17-5-1-2-6-18(17)15-31/h2*4,6-7,9-10,12-13,16,23,26-27,37-38H,5,8,11,14-15H2,1-3H3,(H,31,39);1-10,21-22,34-35H,11-14H2,(H,30,36);2-11,23-24,31-32H,12-15H2,1H3,(H,27,33);1-8,16,21-22,32-33H,9-15H2,(H,29,34)/t2*23?,26-,27-;21-,22-;23-,24-;21-,22-/m11111/s1
InChIKeyZDUDMUIKGOPLBF-GKVYKXTMSA-N
MW2736.93 g/mol
LogP14.10
Rot. Bonds39

About (2R,3R)-N-[[4-[(5-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)-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)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-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)-N-[[4-[(5-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)-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)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-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 (PubChem CID 162092372) has the molecular formula C135H143Cl2F6N23O21S4 and a molecular weight of 2736.93 g/mol. Its IUPAC name is (2R,3R)-N-[[4-[(5-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)-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)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-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.

Molecular Properties

Compound Name(2R,3R)-N-[[4-[(5-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)-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)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-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
PubChem CID162092372
Molecular FormulaC135H143Cl2F6N23O21S4
Molecular Weight2736.93 g/mol
Exact Mass2733.90
IUPAC Name(2R,3R)-N-[[4-[(5-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)-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)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-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
SMILESCc1nc2cc(Cl)ccc2n1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(N(C)C)c2)n1.Cc1nc2ccc(Cl)cc2n1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(N(C)C)c2)n1.Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)s1.O=C(NCC1CCN(c2ccccc2OC(F)(F)F)CC1)[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
InChIInChI=1S/2C29H33ClN6O4S.C26H23F3N4O4S.C26H26N4O4S.C25H28F3N3O5/c1-17-32-22-13-19(30)9-10-24(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;1-17-32-22-10-9-19(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;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;1-16-28-21-8-4-5-9-22(21)30(16)15-20-11-10-19(35-20)12-27-25(33)23(31)24(32)26(34)29-13-17-6-2-3-7-18(17)14-29;26-25(27,28)36-20-8-4-3-7-19(20)30-11-9-16(10-12-30)13-29-23(34)21(32)22(33)24(35)31-14-17-5-1-2-6-18(17)15-31/h2*4,6-7,9-10,12-13,16,23,26-27,37-38H,5,8,11,14-15H2,1-3H3,(H,31,39);1-10,21-22,34-35H,11-14H2,(H,30,36);2-11,23-24,31-32H,12-15H2,1H3,(H,27,33);1-8,16,21-22,32-33H,9-15H2,(H,29,34)/t2*23?,26-,27-;21-,22-;23-,24-;21-,22-/m11111/s1
InChIKeyZDUDMUIKGOPLBF-GKVYKXTMSA-N
XLogP14.10
TPSA565.36 Ų
H-Bond Donors15
H-Bond Acceptors38
Rotatable Bonds39
Heavy Atoms191
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002736.93
LogP ≤ 514.10
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1038

Analyze (2R,3R)-N-[[4-[(5-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)-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)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-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 with MolForge

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Related Compounds

(2R,3R)-N-[[4-[(5-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)-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)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-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
CID 157569186
CID 158753556
CID 158753556
CID 159054876
CID 159054876
CID 159314072
CID 159314072
(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[5-(2-phenylmethoxyphenyl)-2-pyridinyl]methyl]butanamide;(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-(piperidin-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-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide
CID 157424480
(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[5-(2-phenylmethoxyphenyl)-2-pyridinyl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[4-(3-pyridin-4-ylthiophen-2-yl)phenyl]methyl]butanamide;(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)-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-[2-[3-(4-methylpiperazin-1-yl)phenyl]pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide
CID 157696717
(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-(2-methoxyphenyl)-2-pyridinyl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-3-yl]methyl]-4-oxobutanamide;bis((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)
CID 160755742
(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-(2-methoxyphenyl)-2-pyridinyl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-3-yl]methyl]-4-oxobutanamide;bis((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 160755743
(2R,3R)-N-[[5-(2-chlorophenyl)-2-pyridinyl]methyl]-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-cyano-4-fluorophenyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-(2-cyanothiophen-3-yl)phenyl]ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(3S)-N-[[4-(2-cyanothiophen-3-yl)phenyl]methyl]-4-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[[1-[4-fluoro-2-(2-methylpropoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxo-4-(2-thiophen-2-ylpyrrolidin-1-yl)butanamide
CID 161920787
(2R,3R)-N-[[5-(benzimidazol-1-ylmethyl)thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[2-[(E)-hydroxyiminomethyl]thiophen-3-yl]phenyl]methyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;3-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanoyl]amino]methyl]phenyl]-N-phenylthiophene-2-carboxamide
CID 172967104

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[[4-[(5-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)-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)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-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?
The IUPAC name of (2R,3R)-N-[[4-[(5-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)-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)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-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 (CID 162092372) is (2R,3R)-N-[[4-[(5-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)-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)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-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.
What is the SMILES notation for (2R,3R)-N-[[4-[(5-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)-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)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-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?
The canonical SMILES for (2R,3R)-N-[[4-[(5-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)-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)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-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 is Cc1nc2cc(Cl)ccc2n1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(N(C)C)c2)n1.Cc1nc2ccc(Cl)cc2n1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(N(C)C)c2)n1.Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)s1.O=C(NCC1CCN(c2ccccc2OC(F)(F)F)CC1)[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.
What is the InChIKey of (2R,3R)-N-[[4-[(5-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)-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)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-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?
The InChIKey is ZDUDMUIKGOPLBF-GKVYKXTMSA-N. The full InChI is InChI=1S/2C29H33ClN6O4S.C26H23F3N4O4S.C26H26N4O4S.C25H28F3N3O5/c1-17-32-22-13-19(30)9-10-24(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;1-17-32-22-10-9-19(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;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;1-16-28-21-8-4-5-9-22(21)30(16)15-20-11-10-19(35-20)12-27-25(33)23(31)24(32)26(34)29-13-17-6-2-3-7-18(17)14-29;26-25(27,28)36-20-8-4-3-7-19(20)30-11-9-16(10-12-30)13-29-23(34)21(32)22(33)24(35)31-14-17-5-1-2-6-18(17)15-31/h2*4,6-7,9-10,12-13,16,23,26-27,37-38H,5,8,11,14-15H2,1-3H3,(H,31,39);1-10,21-22,34-35H,11-14H2,(H,30,36);2-11,23-24,31-32H,12-15H2,1H3,(H,27,33);1-8,16,21-22,32-33H,9-15H2,(H,29,34)/t2*23?,26-,27-;21-,22-;23-,24-;21-,22-/m11111/s1.
What are the key properties of (2R,3R)-N-[[4-[(5-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)-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)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-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)-N-[[4-[(5-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)-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)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-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 has a molecular weight of 2736.93 g/mol, XLogP of 14.10, 39 rotatable bonds, 15 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[[4-[(5-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)-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)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-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 is sourced from PubChem (CID 162092372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).