About (2R,3R)-4-[(2R)-2-(2-amino-1,3-thiazol-4-yl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-N-[[4-[(5-chloro-2-methylbenzimidazol-1-yl)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-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide;(2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;propyl 3-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]thiophene-2-carboxylate
(2R,3R)-4-[(2R)-2-(2-amino-1,3-thiazol-4-yl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-N-[[4-[(5-chloro-2-methylbenzimidazol-1-yl)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-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide;(2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;propyl 3-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]thiophene-2-carboxylate (PubChem CID 158354160) has the molecular formula C139H161ClFN23O22S4
and a molecular weight of 2688.67 g/mol. Its IUPAC name is (2R,3R)-4-[(2R)-2-(2-amino-1,3-thiazol-4-yl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-N-[[4-[(5-chloro-2-methylbenzimidazol-1-yl)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-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide;(2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;propyl 3-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]thiophene-2-carboxylate.
Frequently Asked Questions
What is the IUPAC name of (2R,3R)-4-[(2R)-2-(2-amino-1,3-thiazol-4-yl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-N-[[4-[(5-chloro-2-methylbenzimidazol-1-yl)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-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide;(2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;propyl 3-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]thiophene-2-carboxylate?
The IUPAC name of (2R,3R)-4-[(2R)-2-(2-amino-1,3-thiazol-4-yl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-N-[[4-[(5-chloro-2-methylbenzimidazol-1-yl)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-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide;(2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;propyl 3-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]thiophene-2-carboxylate (CID 158354160) is (2R,3R)-4-[(2R)-2-(2-amino-1,3-thiazol-4-yl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-N-[[4-[(5-chloro-2-methylbenzimidazol-1-yl)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-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide;(2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;propyl 3-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]thiophene-2-carboxylate.
What is the SMILES notation for (2R,3R)-4-[(2R)-2-(2-amino-1,3-thiazol-4-yl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-N-[[4-[(5-chloro-2-methylbenzimidazol-1-yl)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-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide;(2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;propyl 3-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]thiophene-2-carboxylate?
The canonical SMILES for (2R,3R)-4-[(2R)-2-(2-amino-1,3-thiazol-4-yl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-N-[[4-[(5-chloro-2-methylbenzimidazol-1-yl)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-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide;(2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;propyl 3-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]thiophene-2-carboxylate is CCCOC(=O)c1sccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2ccccc2)cc1.C[C@H](c1ccccc1)N(C)C(=O)[C@H](O)[C@@H](O)C(=O)NCC1CCN(c2ccccc2C#N)CC1.Cc1nc2cc(Cl)ccc2n1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(N3CCN(C)CC3)c2)n1.Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2csc(N)n2)s1.N#Cc1ccccc1N1CCC(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2ccc(F)cc2)CC1.
What is the InChIKey of (2R,3R)-4-[(2R)-2-(2-amino-1,3-thiazol-4-yl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-N-[[4-[(5-chloro-2-methylbenzimidazol-1-yl)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-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide;(2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;propyl 3-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]thiophene-2-carboxylate?
The InChIKey is GSRFEXPGDUZHSS-IOSPYTJCSA-N. The full InChI is InChI=1S/C32H38ClN7O4S.C29H32N2O6S.C27H31FN4O4.C26H32N4O4.C25H28N6O4S2/c1-20-35-25-16-22(33)8-9-27(25)40(20)18-23-19-45-28(36-23)17-34-31(43)29(41)30(42)32(44)39-10-4-7-26(39)21-5-3-6-24(15-21)38-13-11-37(2)12-14-38;1-2-16-37-29(36)26-22(14-17-38-26)20-12-10-19(11-13-20)18-30-27(34)24(32)25(33)28(35)31-15-6-9-23(31)21-7-4-3-5-8-21;28-21-9-7-19(8-10-21)23-6-3-13-32(23)27(36)25(34)24(33)26(35)30-17-18-11-14-31(15-12-18)22-5-2-1-4-20(22)16-29;1-18(20-8-4-3-5-9-20)29(2)26(34)24(32)23(31)25(33)28-17-19-12-14-30(15-13-19)22-11-7-6-10-21(22)16-27;1-14-28-17-5-2-3-6-19(17)31(14)12-16-9-8-15(37-16)11-27-23(34)21(32)22(33)24(35)30-10-4-7-20(30)18-13-36-25(26)29-18/h3,5-6,8-9,15-16,19,26,29-30,41-42H,4,7,10-14,17-18H2,1-2H3,(H,34,43);3-5,7-8,10-14,17,23-25,32-33H,2,6,9,15-16,18H2,1H3,(H,30,34);1-2,4-5,7-10,18,23-25,33-34H,3,6,11-15,17H2,(H,30,35);3-11,18-19,23-24,31-32H,12-15,17H2,1-2H3,(H,28,33);2-3,5-6,8-9,13,20-22,32-33H,4,7,10-12H2,1H3,(H2,26,29)(H,27,34)/t26?,29-,30-;2*23?,24-,25-;18-,23-,24-;20-,21-,22-/m11111/s1.
What are the key properties of (2R,3R)-4-[(2R)-2-(2-amino-1,3-thiazol-4-yl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-N-[[4-[(5-chloro-2-methylbenzimidazol-1-yl)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-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide;(2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;propyl 3-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]thiophene-2-carboxylate?
(2R,3R)-4-[(2R)-2-(2-amino-1,3-thiazol-4-yl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-N-[[4-[(5-chloro-2-methylbenzimidazol-1-yl)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-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide;(2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;propyl 3-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]thiophene-2-carboxylate has a molecular weight of 2688.67 g/mol, XLogP of 12.78, 42 rotatable bonds, 16 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-4-[(2R)-2-(2-amino-1,3-thiazol-4-yl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-N-[[4-[(5-chloro-2-methylbenzimidazol-1-yl)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-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide;(2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;propyl 3-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoyl]amino]methyl]phenyl]thiophene-2-carboxylate is sourced from PubChem (CID 158354160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).