About (2R,3R)-N-[(1R)-1-(3-but-2-ynoxy-4-pyrazol-1-ylphenyl)ethyl]-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(1R)-1-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-[1-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-1,3-dihydroisoindol-2-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-[(1R)-1-[2-(ethylamino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide
(2R,3R)-N-[(1R)-1-(3-but-2-ynoxy-4-pyrazol-1-ylphenyl)ethyl]-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(1R)-1-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-[1-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-1,3-dihydroisoindol-2-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-[(1R)-1-[2-(ethylamino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide (PubChem CID 162004137) has the molecular formula C140H153Cl2N27O22S2
and a molecular weight of 2700.97 g/mol. Its IUPAC name is (2R,3R)-N-[(1R)-1-(3-but-2-ynoxy-4-pyrazol-1-ylphenyl)ethyl]-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(1R)-1-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-[1-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-1,3-dihydroisoindol-2-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-[(1R)-1-[2-(ethylamino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide.
Frequently Asked Questions
What is the IUPAC name of (2R,3R)-N-[(1R)-1-(3-but-2-ynoxy-4-pyrazol-1-ylphenyl)ethyl]-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(1R)-1-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-[1-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-1,3-dihydroisoindol-2-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-[(1R)-1-[2-(ethylamino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide?
The IUPAC name of (2R,3R)-N-[(1R)-1-(3-but-2-ynoxy-4-pyrazol-1-ylphenyl)ethyl]-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(1R)-1-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-[1-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-1,3-dihydroisoindol-2-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-[(1R)-1-[2-(ethylamino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide (CID 162004137) is (2R,3R)-N-[(1R)-1-(3-but-2-ynoxy-4-pyrazol-1-ylphenyl)ethyl]-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(1R)-1-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-[1-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-1,3-dihydroisoindol-2-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-[(1R)-1-[2-(ethylamino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide.
What is the SMILES notation for (2R,3R)-N-[(1R)-1-(3-but-2-ynoxy-4-pyrazol-1-ylphenyl)ethyl]-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(1R)-1-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-[1-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-1,3-dihydroisoindol-2-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-[(1R)-1-[2-(ethylamino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide?
The canonical SMILES for (2R,3R)-N-[(1R)-1-(3-but-2-ynoxy-4-pyrazol-1-ylphenyl)ethyl]-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(1R)-1-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-[1-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-1,3-dihydroisoindol-2-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-[(1R)-1-[2-(ethylamino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide is CC#CCOc1cc([C@@H](C)NC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)ccc1-n1cccn1.CC(C)Nc1nc([C@H]2c3ccccc3CCN2C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)cs1.CCNc1nc([C@H]2c3ccccc3CCN2C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)cs1.CCNc1nnc(C2c3ccccc3CN2C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)o1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1)c1ccc(-n2cccn2)cc1.
What is the InChIKey of (2R,3R)-N-[(1R)-1-(3-but-2-ynoxy-4-pyrazol-1-ylphenyl)ethyl]-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(1R)-1-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-[1-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-1,3-dihydroisoindol-2-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-[(1R)-1-[2-(ethylamino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide?
The InChIKey is YSPGWJQSEKGXMX-CAVLJJSYSA-N. The full InChI is InChI=1S/C30H34N6O4S.C29H31ClN4O5.C29H32N6O4S.C27H29N7O5.C25H27ClN4O4/c1-18(2)32-30-34-24(17-41-30)25-23-8-5-4-7-21(23)13-16-35(25)29(40)27(38)26(37)28(39)33-19(3)20-9-11-22(12-10-20)36-15-6-14-31-36;1-3-4-16-39-25-18-20(11-12-24(25)34-15-7-13-31-34)19(2)32-28(37)26(35)27(36)29(38)33-14-6-10-23(33)21-8-5-9-22(30)17-21;1-3-30-29-33-23(17-40-29)24-22-8-5-4-7-20(22)13-16-34(24)28(39)26(37)25(36)27(38)32-18(2)19-9-11-21(12-10-19)35-15-6-14-31-35;1-3-28-27-32-31-25(39-27)21-20-8-5-4-7-18(20)15-33(21)26(38)23(36)22(35)24(37)30-16(2)17-9-11-19(12-10-17)34-14-6-13-29-34;1-16(17-8-10-20(11-9-17)30-14-4-12-27-30)28-24(33)22(31)23(32)25(34)29-13-3-7-21(29)18-5-2-6-19(26)15-18/h4-12,14-15,17-19,25-27,37-38H,13,16H2,1-3H3,(H,32,34)(H,33,39);5,7-9,11-13,15,17-19,23,26-27,35-36H,6,10,14,16H2,1-2H3,(H,32,37);4-12,14-15,17-18,24-26,36-37H,3,13,16H2,1-2H3,(H,30,33)(H,32,38);4-14,16,21-23,35-36H,3,15H2,1-2H3,(H,28,32)(H,30,37);2,4-6,8-12,14-16,21-23,31-32H,3,7,13H2,1H3,(H,28,33)/t19-,25-,26-,27-;19-,23-,26-,27-;18-,24-,25-,26-;16-,21?,22-,23-;16-,21-,22-,23-/m11111/s1.
What are the key properties of (2R,3R)-N-[(1R)-1-(3-but-2-ynoxy-4-pyrazol-1-ylphenyl)ethyl]-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(1R)-1-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-[1-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-1,3-dihydroisoindol-2-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-[(1R)-1-[2-(ethylamino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide?
(2R,3R)-N-[(1R)-1-(3-but-2-ynoxy-4-pyrazol-1-ylphenyl)ethyl]-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(1R)-1-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-[1-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-1,3-dihydroisoindol-2-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-[(1R)-1-[2-(ethylamino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide has a molecular weight of 2700.97 g/mol, XLogP of 13.75, 43 rotatable bonds, 18 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[(1R)-1-(3-but-2-ynoxy-4-pyrazol-1-ylphenyl)ethyl]-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(1R)-1-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-[1-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-1,3-dihydroisoindol-2-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-[(1R)-1-[2-(ethylamino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide is sourced from PubChem (CID 162004137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).