(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-cyanothiophen-3-yl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-(2-methoxyphenyl)-2-pyridinyl]methyl]-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-N-[[4-[(2-ethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide

C156H162Cl3FN22O25S3 — CID 158043472

IUPAC(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-cyanothiophen-3-yl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-(2-methoxyphenyl)-2-pyridinyl]methyl]-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-N-[[4-[(2-ethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide
SMILESCCc1ccccc1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2ccccc2)n1.COc1ccccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(Cl)c2)nc1.N#Cc1cc(F)ccc1N1CCC(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)CC1.N#Cc1ccccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(Cl)c2)nc1.N#Cc1sccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)cc1.O=C(NCC1CCN(c2ncnc3sccc23)CC1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1
InChIInChI=1S/C27H25ClN4O4.C27H28ClN3O5.C27H31N3O4S.C26H24ClN3O4S.C25H27FN4O4.C24H27N5O4S/c28-20-7-3-6-17(13-20)23-9-4-12-32(23)27(36)25(34)24(33)26(35)31-16-21-11-10-19(15-30-21)22-8-2-1-5-18(22)14-29;1-36-23-10-3-2-8-21(23)18-11-12-20(29-15-18)16-30-26(34)24(32)25(33)27(35)31-13-5-9-22(31)17-6-4-7-19(28)14-17;1-2-18-9-6-7-12-20(18)15-21-17-35-23(29-21)16-28-26(33)24(31)25(32)27(34)30-14-8-13-22(30)19-10-4-3-5-11-19;27-19-4-1-3-18(13-19)21-5-2-11-30(21)26(34)24(32)23(31)25(33)29-15-16-6-8-17(9-7-16)20-10-12-35-22(20)14-28;26-20-5-6-21(19(11-20)12-27)29-9-7-16(8-10-29)13-28-24(33)22(31)23(32)25(34)30-14-17-3-1-2-4-18(17)15-30;30-19(20(31)24(33)29-12-16-3-1-2-4-17(16)13-29)22(32)25-11-15-5-8-28(9-6-15)21-18-7-10-34-23(18)27-14-26-21/h1-3,5-8,10-11,13,15,23-25,33-34H,4,9,12,16H2,(H,31,35);2-4,6-8,10-12,14-15,22,24-25,32-33H,5,9,13,16H2,1H3,(H,30,34);3-7,9-12,17,22,24-25,31-32H,2,8,13-16H2,1H3,(H,28,33);1,3-4,6-10,12-13,21,23-24,31-32H,2,5,11,15H2,(H,29,33);1-6,11,16,22-23,31-32H,7-10,13-15H2,(H,28,33);1-4,7,10,14-15,19-20,30-31H,5-6,8-9,11-13H2,(H,25,32)/t23?,24-,25-;2*22?,24-,25-;21-,23-,24-;22-,23-;19-,20-/m111111/s1
InChIKeyFIQBJXHFXXWMKG-OSOJZVHZSA-N
MW2966.70 g/mol
LogP15.31
Rot. Bonds43

About (2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-cyanothiophen-3-yl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-(2-methoxyphenyl)-2-pyridinyl]methyl]-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-N-[[4-[(2-ethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide

(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-cyanothiophen-3-yl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-(2-methoxyphenyl)-2-pyridinyl]methyl]-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-N-[[4-[(2-ethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide (PubChem CID 158043472) has the molecular formula C156H162Cl3FN22O25S3 and a molecular weight of 2966.70 g/mol. Its IUPAC name is (2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-cyanothiophen-3-yl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-(2-methoxyphenyl)-2-pyridinyl]methyl]-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-N-[[4-[(2-ethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide.

Molecular Properties

Compound Name(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-cyanothiophen-3-yl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-(2-methoxyphenyl)-2-pyridinyl]methyl]-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-N-[[4-[(2-ethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide
PubChem CID158043472
Molecular FormulaC156H162Cl3FN22O25S3
Molecular Weight2966.70 g/mol
Exact Mass2963.03
IUPAC Name(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-cyanothiophen-3-yl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-(2-methoxyphenyl)-2-pyridinyl]methyl]-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-N-[[4-[(2-ethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide
SMILESCCc1ccccc1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2ccccc2)n1.COc1ccccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(Cl)c2)nc1.N#Cc1cc(F)ccc1N1CCC(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)CC1.N#Cc1ccccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(Cl)c2)nc1.N#Cc1sccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)cc1.O=C(NCC1CCN(c2ncnc3sccc23)CC1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1
InChIInChI=1S/C27H25ClN4O4.C27H28ClN3O5.C27H31N3O4S.C26H24ClN3O4S.C25H27FN4O4.C24H27N5O4S/c28-20-7-3-6-17(13-20)23-9-4-12-32(23)27(36)25(34)24(33)26(35)31-16-21-11-10-19(15-30-21)22-8-2-1-5-18(22)14-29;1-36-23-10-3-2-8-21(23)18-11-12-20(29-15-18)16-30-26(34)24(32)25(33)27(35)31-13-5-9-22(31)17-6-4-7-19(28)14-17;1-2-18-9-6-7-12-20(18)15-21-17-35-23(29-21)16-28-26(33)24(31)25(32)27(34)30-14-8-13-22(30)19-10-4-3-5-11-19;27-19-4-1-3-18(13-19)21-5-2-11-30(21)26(34)24(32)23(31)25(33)29-15-16-6-8-17(9-7-16)20-10-12-35-22(20)14-28;26-20-5-6-21(19(11-20)12-27)29-9-7-16(8-10-29)13-28-24(33)22(31)23(32)25(34)30-14-17-3-1-2-4-18(17)15-30;30-19(20(31)24(33)29-12-16-3-1-2-4-17(16)13-29)22(32)25-11-15-5-8-28(9-6-15)21-18-7-10-34-23(18)27-14-26-21/h1-3,5-8,10-11,13,15,23-25,33-34H,4,9,12,16H2,(H,31,35);2-4,6-8,10-12,14-15,22,24-25,32-33H,5,9,13,16H2,1H3,(H,30,34);3-7,9-12,17,22,24-25,31-32H,2,8,13-16H2,1H3,(H,28,33);1,3-4,6-10,12-13,21,23-24,31-32H,2,5,11,15H2,(H,29,33);1-6,11,16,22-23,31-32H,7-10,13-15H2,(H,28,33);1-4,7,10,14-15,19-20,30-31H,5-6,8-9,11-13H2,(H,25,32)/t23?,24-,25-;2*22?,24-,25-;21-,23-,24-;22-,23-;19-,20-/m111111/s1
InChIKeyFIQBJXHFXXWMKG-OSOJZVHZSA-N
XLogP15.31
TPSA690.75 Ų
H-Bond Donors18
H-Bond Acceptors38
Rotatable Bonds43
Heavy Atoms210
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002966.70
LogP ≤ 515.31
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1038

Analyze (2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-cyanothiophen-3-yl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-(2-methoxyphenyl)-2-pyridinyl]methyl]-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-N-[[4-[(2-ethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide with MolForge

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Related Compounds

CID 157280575
CID 157280575
CID 157837513
CID 157837513
(2R,3R)-4-[(2R)-2-(2-amino-1,3-thiazol-4-yl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]thiophen-2-yl]methyl]butanamide;(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;(2R,3R)-4-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide;ethyl 4-[4-[[[(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanoyl]amino]methyl]phenyl]pyridine-3-carboxylate
CID 158592282
CID 159565119
CID 159565119
CID 160284924
CID 160284924
CID 160431503
CID 160431503
CID 160763292
CID 160763292
CID 160989227
CID 160989227
CID 161682335
CID 161682335
CID 161821494
CID 161821494
(2R,3R)-4-[(2R)-2-(2-amino-1,3-thiazol-4-yl)pyrrolidin-1-yl]-N-[[5-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]ethyl]-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-[(2-methoxyphenyl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide
CID 157170265
(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

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-cyanothiophen-3-yl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-(2-methoxyphenyl)-2-pyridinyl]methyl]-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-N-[[4-[(2-ethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide?
The IUPAC name of (2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-cyanothiophen-3-yl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-(2-methoxyphenyl)-2-pyridinyl]methyl]-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-N-[[4-[(2-ethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide (CID 158043472) is (2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-cyanothiophen-3-yl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-(2-methoxyphenyl)-2-pyridinyl]methyl]-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-N-[[4-[(2-ethylphenyl)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)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-cyanothiophen-3-yl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-(2-methoxyphenyl)-2-pyridinyl]methyl]-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-N-[[4-[(2-ethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide?
The canonical SMILES for (2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-cyanothiophen-3-yl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-(2-methoxyphenyl)-2-pyridinyl]methyl]-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-N-[[4-[(2-ethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide is CCc1ccccc1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2ccccc2)n1.COc1ccccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(Cl)c2)nc1.N#Cc1cc(F)ccc1N1CCC(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)CC1.N#Cc1ccccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(Cl)c2)nc1.N#Cc1sccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)cc1.O=C(NCC1CCN(c2ncnc3sccc23)CC1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.
What is the InChIKey of (2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-cyanothiophen-3-yl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-(2-methoxyphenyl)-2-pyridinyl]methyl]-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-N-[[4-[(2-ethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide?
The InChIKey is FIQBJXHFXXWMKG-OSOJZVHZSA-N. The full InChI is InChI=1S/C27H25ClN4O4.C27H28ClN3O5.C27H31N3O4S.C26H24ClN3O4S.C25H27FN4O4.C24H27N5O4S/c28-20-7-3-6-17(13-20)23-9-4-12-32(23)27(36)25(34)24(33)26(35)31-16-21-11-10-19(15-30-21)22-8-2-1-5-18(22)14-29;1-36-23-10-3-2-8-21(23)18-11-12-20(29-15-18)16-30-26(34)24(32)25(33)27(35)31-13-5-9-22(31)17-6-4-7-19(28)14-17;1-2-18-9-6-7-12-20(18)15-21-17-35-23(29-21)16-28-26(33)24(31)25(32)27(34)30-14-8-13-22(30)19-10-4-3-5-11-19;27-19-4-1-3-18(13-19)21-5-2-11-30(21)26(34)24(32)23(31)25(33)29-15-16-6-8-17(9-7-16)20-10-12-35-22(20)14-28;26-20-5-6-21(19(11-20)12-27)29-9-7-16(8-10-29)13-28-24(33)22(31)23(32)25(34)30-14-17-3-1-2-4-18(17)15-30;30-19(20(31)24(33)29-12-16-3-1-2-4-17(16)13-29)22(32)25-11-15-5-8-28(9-6-15)21-18-7-10-34-23(18)27-14-26-21/h1-3,5-8,10-11,13,15,23-25,33-34H,4,9,12,16H2,(H,31,35);2-4,6-8,10-12,14-15,22,24-25,32-33H,5,9,13,16H2,1H3,(H,30,34);3-7,9-12,17,22,24-25,31-32H,2,8,13-16H2,1H3,(H,28,33);1,3-4,6-10,12-13,21,23-24,31-32H,2,5,11,15H2,(H,29,33);1-6,11,16,22-23,31-32H,7-10,13-15H2,(H,28,33);1-4,7,10,14-15,19-20,30-31H,5-6,8-9,11-13H2,(H,25,32)/t23?,24-,25-;2*22?,24-,25-;21-,23-,24-;22-,23-;19-,20-/m111111/s1.
What are the key properties of (2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-cyanothiophen-3-yl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-(2-methoxyphenyl)-2-pyridinyl]methyl]-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-N-[[4-[(2-ethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide?
(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-cyanothiophen-3-yl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-(2-methoxyphenyl)-2-pyridinyl]methyl]-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-N-[[4-[(2-ethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide has a molecular weight of 2966.70 g/mol, XLogP of 15.31, 43 rotatable bonds, 18 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-cyanothiophen-3-yl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-(2-methoxyphenyl)-2-pyridinyl]methyl]-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-N-[[4-[(2-ethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide is sourced from PubChem (CID 158043472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).