About (2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide;(2R,3R)-4-(2,3-dihydro-1H-inden-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-pyrrolidin-1-ylphenyl)pyrrolidin-1-yl]butanamide;(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-[(5-fluoro-2-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide
(2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide;(2R,3R)-4-(2,3-dihydro-1H-inden-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-pyrrolidin-1-ylphenyl)pyrrolidin-1-yl]butanamide;(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-[(5-fluoro-2-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide (PubChem CID 158178493) has the molecular formula C142H160FN21O20S5
and a molecular weight of 2660.30 g/mol. Its IUPAC name is (2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide;(2R,3R)-4-(2,3-dihydro-1H-inden-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-pyrrolidin-1-ylphenyl)pyrrolidin-1-yl]butanamide;(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-[(5-fluoro-2-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide.
Frequently Asked Questions
What is the IUPAC name of (2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide;(2R,3R)-4-(2,3-dihydro-1H-inden-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-pyrrolidin-1-ylphenyl)pyrrolidin-1-yl]butanamide;(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-[(5-fluoro-2-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide?
The IUPAC name of (2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide;(2R,3R)-4-(2,3-dihydro-1H-inden-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-pyrrolidin-1-ylphenyl)pyrrolidin-1-yl]butanamide;(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-[(5-fluoro-2-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide (CID 158178493) is (2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide;(2R,3R)-4-(2,3-dihydro-1H-inden-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-pyrrolidin-1-ylphenyl)pyrrolidin-1-yl]butanamide;(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-[(5-fluoro-2-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide.
What is the SMILES notation for (2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide;(2R,3R)-4-(2,3-dihydro-1H-inden-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-pyrrolidin-1-ylphenyl)pyrrolidin-1-yl]butanamide;(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-[(5-fluoro-2-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide?
The canonical SMILES for (2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide;(2R,3R)-4-(2,3-dihydro-1H-inden-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-pyrrolidin-1-ylphenyl)pyrrolidin-1-yl]butanamide;(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-[(5-fluoro-2-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide is Cc1ccc(F)cc1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2ccccc2)n1.Cc1cccc(C)c1Cc1csc(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)N2CCCC2c2cccc(N3CCCC3)c2)n1.N#Cc1ccccc1N1CCC(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2nccs2)CC1.O=C(NCc1ccc(-c2sccc2-c2ccncc2)cc1)[C@H](O)[C@@H](O)C(=O)C1Cc2ccccc2C1.
What is the InChIKey of (2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide;(2R,3R)-4-(2,3-dihydro-1H-inden-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-pyrrolidin-1-ylphenyl)pyrrolidin-1-yl]butanamide;(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-[(5-fluoro-2-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide?
The InChIKey is FYHCFSQSPAPVMC-AFEWXAQJSA-N. The full InChI is InChI=1S/C32H41N5O4S.C31H36N6O4S.C29H26N2O4S.C26H28FN3O4S.C24H29N5O4S/c1-21-7-4-8-22(2)26(21)18-24-20-42-28(34-24)19-33-31(40)29(38)30(39)32(41)37-12-6-11-27(37)23-9-5-10-25(17-23)36-15-13-35(3)14-16-36;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;32-25(23-15-21-3-1-2-4-22(21)16-23)26(33)27(34)29(35)31-17-18-5-7-20(8-6-18)28-24(11-14-36-28)19-9-12-30-13-10-19;1-16-9-10-19(27)12-18(16)13-20-15-35-22(29-20)14-28-25(33)23(31)24(32)26(34)30-11-5-8-21(30)17-6-3-2-4-7-17;25-14-17-4-1-2-5-18(17)28-11-7-16(8-12-28)15-27-22(32)20(30)21(31)24(33)29-10-3-6-19(29)23-26-9-13-34-23/h4-5,7-10,17,20,27,29-30,38-39H,6,11-16,18-19H2,1-3H3,(H,33,40);2-3,6,8-11,16,19,25,28-29,38-39H,4-5,7,12-15,17-18H2,1H3,(H,32,40);1-14,23,26-27,33-34H,15-17H2,(H,31,35);2-4,6-7,9-10,12,15,21,23-24,31-32H,5,8,11,13-14H2,1H3,(H,28,33);1-2,4-5,9,13,16,19-21,30-31H,3,6-8,10-12,15H2,(H,27,32)/t27?,29-,30-;25?,28-,29-;26-,27+;21?,23-,24-;19?,20-,21-/m11011/s1.
What are the key properties of (2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide;(2R,3R)-4-(2,3-dihydro-1H-inden-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-pyrrolidin-1-ylphenyl)pyrrolidin-1-yl]butanamide;(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-[(5-fluoro-2-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide?
(2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide;(2R,3R)-4-(2,3-dihydro-1H-inden-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-pyrrolidin-1-ylphenyl)pyrrolidin-1-yl]butanamide;(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-[(5-fluoro-2-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide has a molecular weight of 2660.30 g/mol, XLogP of 14.07, 41 rotatable bonds, 15 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide;(2R,3R)-4-(2,3-dihydro-1H-inden-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-pyrrolidin-1-ylphenyl)pyrrolidin-1-yl]butanamide;(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-[(5-fluoro-2-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide is sourced from PubChem (CID 158178493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).