About (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-(3-bromothiophen-2-yl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-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;3-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanoyl]amino]methyl]phenyl]-N-phenylthiophene-2-carboxamide;(2R,3R)-N-[[4-[(4-fluoro-2-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide
(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-(3-bromothiophen-2-yl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-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;3-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanoyl]amino]methyl]phenyl]-N-phenylthiophene-2-carboxamide;(2R,3R)-N-[[4-[(4-fluoro-2-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide (PubChem CID 172930369) has the molecular formula C162H164BrClFN19O26S6
and a molecular weight of 3119.96 g/mol. Its IUPAC name is (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-(3-bromothiophen-2-yl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-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;3-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanoyl]amino]methyl]phenyl]-N-phenylthiophene-2-carboxamide;(2R,3R)-N-[[4-[(4-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-[[5-(benzimidazol-1-ylmethyl)thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-(3-bromothiophen-2-yl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-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;3-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanoyl]amino]methyl]phenyl]-N-phenylthiophene-2-carboxamide;(2R,3R)-N-[[4-[(4-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-[[5-(benzimidazol-1-ylmethyl)thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-(3-bromothiophen-2-yl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-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;3-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanoyl]amino]methyl]phenyl]-N-phenylthiophene-2-carboxamide;(2R,3R)-N-[[4-[(4-fluoro-2-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide (CID 172930369) is (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-(3-bromothiophen-2-yl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-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;3-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanoyl]amino]methyl]phenyl]-N-phenylthiophene-2-carboxamide;(2R,3R)-N-[[4-[(4-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-[[5-(benzimidazol-1-ylmethyl)thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-(3-bromothiophen-2-yl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-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;3-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanoyl]amino]methyl]phenyl]-N-phenylthiophene-2-carboxamide;(2R,3R)-N-[[4-[(4-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-[[5-(benzimidazol-1-ylmethyl)thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-(3-bromothiophen-2-yl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-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;3-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanoyl]amino]methyl]phenyl]-N-phenylthiophene-2-carboxamide;(2R,3R)-N-[[4-[(4-fluoro-2-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide is Cc1cc(F)ccc1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2ccccc2)n1.Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)s1.O=C(NCc1ccc(-c2ccsc2/C=N/O)cc1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1.O=C(NCc1ccc(-c2sccc2Br)cc1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1.O=C(NCc1ccc(Cn2cnc3ccccc32)s1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.O=C(Nc1ccccc1)c1sccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (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-(3-bromothiophen-2-yl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-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;3-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanoyl]amino]methyl]phenyl]-N-phenylthiophene-2-carboxamide;(2R,3R)-N-[[4-[(4-fluoro-2-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide?
The InChIKey is DOBCQTGRPJISRB-IRRZJJNYSA-N. The full InChI is InChI=1S/C32H31N3O5S.C28H29ClN4O4S.C26H28FN3O4S.C26H27N3O5S.C25H25BrN2O4S.C25H24N4O4S/c36-27(28(37)32(40)35-18-7-12-26(35)23-8-3-1-4-9-23)30(38)33-20-21-13-15-22(16-14-21)25-17-19-41-29(25)31(39)34-24-10-5-2-6-11-24;1-17-31-22-8-2-3-9-24(22)33(17)16-21-12-11-20(38-21)15-30-27(36)25(34)26(35)28(37)32-13-5-10-23(32)18-6-4-7-19(29)14-18;1-16-12-19(27)10-9-18(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;30-23(24(31)26(33)29-13-4-7-21(29)19-5-2-1-3-6-19)25(32)27-15-17-8-10-18(11-9-17)20-12-14-35-22(20)16-28-34;26-19-12-14-33-23(19)18-10-8-16(9-11-18)15-27-24(31)21(29)22(30)25(32)28-13-4-7-20(28)17-5-2-1-3-6-17;30-22(23(31)25(33)28-12-16-5-1-2-6-17(16)13-28)24(32)26-11-18-9-10-19(34-18)14-29-15-27-20-7-3-4-8-21(20)29/h1-6,8-11,13-17,19,26-28,36-37H,7,12,18,20H2,(H,33,38)(H,34,39);2-4,6-9,11-12,14,23,25-26,34-35H,5,10,13,15-16H2,1H3,(H,30,36);2-4,6-7,9-10,12,15,21,23-24,31-32H,5,8,11,13-14H2,1H3,(H,28,33);1-3,5-6,8-12,14,16,21,23-24,30-31,34H,4,7,13,15H2,(H,27,32);1-3,5-6,8-12,14,20-22,29-30H,4,7,13,15H2,(H,27,31);1-10,15,22-23,30-31H,11-14H2,(H,26,32)/b;;;28-16+;;/t26-,27-,28-;23-,25-,26-;21?,23-,24-;21-,23-,24-;20-,21-,22-;22-,23-/m111111/s1.
What are the key properties of (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-(3-bromothiophen-2-yl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-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;3-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanoyl]amino]methyl]phenyl]-N-phenylthiophene-2-carboxamide;(2R,3R)-N-[[4-[(4-fluoro-2-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide?
(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-(3-bromothiophen-2-yl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-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;3-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanoyl]amino]methyl]phenyl]-N-phenylthiophene-2-carboxamide;(2R,3R)-N-[[4-[(4-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 3119.96 g/mol, XLogP of 19.89, 47 rotatable bonds, 20 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for (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-(3-bromothiophen-2-yl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-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;3-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanoyl]amino]methyl]phenyl]-N-phenylthiophene-2-carboxamide;(2R,3R)-N-[[4-[(4-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 172930369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).