(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

C169H185Cl6FN26O29S3 — CID 157170265

IUPAC(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
SMILESCOc1ccccc1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)s1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1)c1ccn(Cc2ccccc2Cl)n1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1)c1ccn(Cc2ccccc2Cl)n1.N#Cc1cc(F)ccc1N1CCC(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2)CC1.N#Cc1ccccc1N1CCC(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)CC1.Nc1nc([C@H]2CCCN2C(=O)[C@H](O)[C@@H](O)C(=O)NCc2ccc(Cc3ccccc3Cl)s2)cs1.O=C(NCc1ccn(Cc2ccccc2Cl)n1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1
InChIInChI=1S/C27H29ClN2O5S.C26H28Cl2N4O4.C25H28N4O4.C24H25ClN4O4.C23H25ClN4O4S2.C23H23ClN4O4.C21H27FN4O4/c1-35-23-10-3-2-6-18(23)15-20-11-12-21(36-20)16-29-26(33)24(31)25(32)27(34)30-13-5-9-22(30)17-7-4-8-19(28)14-17;1-16(21-11-13-31(30-21)15-18-6-2-3-9-20(18)28)29-25(35)23(33)24(34)26(36)32-12-5-10-22(32)17-7-4-8-19(27)14-17;26-13-18-5-3-4-8-21(18)28-11-9-17(10-12-28)14-27-24(32)22(30)23(31)25(33)29-15-19-6-1-2-7-20(19)16-29;1-15(20-10-11-29(27-20)14-18-8-4-5-9-19(18)25)26-23(32)21(30)22(31)24(33)28-12-16-6-2-3-7-17(16)13-28;24-16-5-2-1-4-13(16)10-14-7-8-15(34-14)11-26-21(31)19(29)20(30)22(32)28-9-3-6-18(28)17-12-33-23(25)27-17;24-19-8-4-3-7-17(19)14-28-10-9-18(26-28)11-25-22(31)20(29)21(30)23(32)27-12-15-5-1-2-6-16(15)13-27;22-16-3-4-17(15(11-16)12-23)25-9-5-14(6-10-25)13-24-20(29)18(27)19(28)21(30)26-7-1-2-8-26/h2-4,6-8,10-12,14,22,24-25,31-32H,5,9,13,15-16H2,1H3,(H,29,33);2-4,6-9,11,13-14,16,22-24,33-34H,5,10,12,15H2,1H3,(H,29,35);1-8,17,22-23,30-31H,9-12,14-16H2,(H,27,32);2-11,15,21-22,30-31H,12-14H2,1H3,(H,26,32);1-2,4-5,7-8,12,18-20,29-30H,3,6,9-11H2,(H2,25,27)(H,26,31);1-10,20-21,29-30H,11-14H2,(H,25,31);3-4,11,14,18-19,27-28H,1-2,5-10,13H2,(H,24,29)/t22-,24-,25-;16-,22-,23-,24-;22-,23-;15-,21-,22-;18-,19-,20-;20-,21-;18-,19-/m1111111/s1
InChIKeyANJNQXCMCMDRNU-WFMVLHLMSA-N
MW3372.41 g/mol
LogP14.96
Rot. Bonds51

About (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

(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 (PubChem CID 157170265) has the molecular formula C169H185Cl6FN26O29S3 and a molecular weight of 3372.41 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID157170265
Molecular FormulaC169H185Cl6FN26O29S3
Molecular Weight3372.41 g/mol
Exact Mass3367.11
IUPAC Name(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
SMILESCOc1ccccc1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)s1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1)c1ccn(Cc2ccccc2Cl)n1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1)c1ccn(Cc2ccccc2Cl)n1.N#Cc1cc(F)ccc1N1CCC(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2)CC1.N#Cc1ccccc1N1CCC(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)CC1.Nc1nc([C@H]2CCCN2C(=O)[C@H](O)[C@@H](O)C(=O)NCc2ccc(Cc3ccccc3Cl)s2)cs1.O=C(NCc1ccn(Cc2ccccc2Cl)n1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1
InChIInChI=1S/C27H29ClN2O5S.C26H28Cl2N4O4.C25H28N4O4.C24H25ClN4O4.C23H25ClN4O4S2.C23H23ClN4O4.C21H27FN4O4/c1-35-23-10-3-2-6-18(23)15-20-11-12-21(36-20)16-29-26(33)24(31)25(32)27(34)30-13-5-9-22(30)17-7-4-8-19(28)14-17;1-16(21-11-13-31(30-21)15-18-6-2-3-9-20(18)28)29-25(35)23(33)24(34)26(36)32-12-5-10-22(32)17-7-4-8-19(27)14-17;26-13-18-5-3-4-8-21(18)28-11-9-17(10-12-28)14-27-24(32)22(30)23(31)25(33)29-15-19-6-1-2-7-20(19)16-29;1-15(20-10-11-29(27-20)14-18-8-4-5-9-19(18)25)26-23(32)21(30)22(31)24(33)28-12-16-6-2-3-7-17(16)13-28;24-16-5-2-1-4-13(16)10-14-7-8-15(34-14)11-26-21(31)19(29)20(30)22(32)28-9-3-6-18(28)17-12-33-23(25)27-17;24-19-8-4-3-7-17(19)14-28-10-9-18(26-28)11-25-22(31)20(29)21(30)23(32)27-12-15-5-1-2-6-16(15)13-27;22-16-3-4-17(15(11-16)12-23)25-9-5-14(6-10-25)13-24-20(29)18(27)19(28)21(30)26-7-1-2-8-26/h2-4,6-8,10-12,14,22,24-25,31-32H,5,9,13,15-16H2,1H3,(H,29,33);2-4,6-9,11,13-14,16,22-24,33-34H,5,10,12,15H2,1H3,(H,29,35);1-8,17,22-23,30-31H,9-12,14-16H2,(H,27,32);2-11,15,21-22,30-31H,12-14H2,1H3,(H,26,32);1-2,4-5,7-8,12,18-20,29-30H,3,6,9-11H2,(H2,25,27)(H,26,31);1-10,20-21,29-30H,11-14H2,(H,25,31);3-4,11,14,18-19,27-28H,1-2,5-10,13H2,(H,24,29)/t22-,24-,25-;16-,22-,23-,24-;22-,23-;15-,21-,22-;18-,19-,20-;20-,21-;18-,19-/m1111111/s1
InChIKeyANJNQXCMCMDRNU-WFMVLHLMSA-N
XLogP14.96
TPSA784.75 Ų
H-Bond Donors22
H-Bond Acceptors44
Rotatable Bonds51
Heavy Atoms234
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003372.41
LogP ≤ 514.96
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1044

Analyze (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 with MolForge

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Related Compounds

CID 157290388
CID 157290388
CID 157837513
CID 157837513
CID 159385197
CID 159385197
CID 160096943
CID 160096943
CID 161682335
CID 161682335
CID 157739069
CID 157739069
(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
CID 158650639
CID 158650639
CID 159190894
CID 159190894
(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)-2,3-dihydroxy-4-oxo-4-[(1R)-1-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1,3-dihydroisoindol-2-yl]-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-[(1R)-1-[2-(ethylamino)-1,3-thiazol-4-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 159281872
(2R,3R)-N-[[5-(2-chlorophenyl)-2-pyridinyl]methyl]-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-cyano-4-fluorophenyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-(2-cyanothiophen-3-yl)phenyl]ethyl]-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[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[[1-[4-fluoro-2-(2-methylpropoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-(3-pyridin-4-ylthiophen-2-yl)phenyl]methyl]butanamide
CID 159435073
CID 159499357
CID 159499357

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1ccccc1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)s1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1)c1ccn(Cc2ccccc2Cl)n1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1)c1ccn(Cc2ccccc2Cl)n1.N#Cc1cc(F)ccc1N1CCC(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2)CC1.N#Cc1ccccc1N1CCC(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)CC1.Nc1nc([C@H]2CCCN2C(=O)[C@H](O)[C@@H](O)C(=O)NCc2ccc(Cc3ccccc3Cl)s2)cs1.O=C(NCc1ccn(Cc2ccccc2Cl)n1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.
What is the InChIKey of (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?
The InChIKey is ANJNQXCMCMDRNU-WFMVLHLMSA-N. The full InChI is InChI=1S/C27H29ClN2O5S.C26H28Cl2N4O4.C25H28N4O4.C24H25ClN4O4.C23H25ClN4O4S2.C23H23ClN4O4.C21H27FN4O4/c1-35-23-10-3-2-6-18(23)15-20-11-12-21(36-20)16-29-26(33)24(31)25(32)27(34)30-13-5-9-22(30)17-7-4-8-19(28)14-17;1-16(21-11-13-31(30-21)15-18-6-2-3-9-20(18)28)29-25(35)23(33)24(34)26(36)32-12-5-10-22(32)17-7-4-8-19(27)14-17;26-13-18-5-3-4-8-21(18)28-11-9-17(10-12-28)14-27-24(32)22(30)23(31)25(33)29-15-19-6-1-2-7-20(19)16-29;1-15(20-10-11-29(27-20)14-18-8-4-5-9-19(18)25)26-23(32)21(30)22(31)24(33)28-12-16-6-2-3-7-17(16)13-28;24-16-5-2-1-4-13(16)10-14-7-8-15(34-14)11-26-21(31)19(29)20(30)22(32)28-9-3-6-18(28)17-12-33-23(25)27-17;24-19-8-4-3-7-17(19)14-28-10-9-18(26-28)11-25-22(31)20(29)21(30)23(32)27-12-15-5-1-2-6-16(15)13-27;22-16-3-4-17(15(11-16)12-23)25-9-5-14(6-10-25)13-24-20(29)18(27)19(28)21(30)26-7-1-2-8-26/h2-4,6-8,10-12,14,22,24-25,31-32H,5,9,13,15-16H2,1H3,(H,29,33);2-4,6-9,11,13-14,16,22-24,33-34H,5,10,12,15H2,1H3,(H,29,35);1-8,17,22-23,30-31H,9-12,14-16H2,(H,27,32);2-11,15,21-22,30-31H,12-14H2,1H3,(H,26,32);1-2,4-5,7-8,12,18-20,29-30H,3,6,9-11H2,(H2,25,27)(H,26,31);1-10,20-21,29-30H,11-14H2,(H,25,31);3-4,11,14,18-19,27-28H,1-2,5-10,13H2,(H,24,29)/t22-,24-,25-;16-,22-,23-,24-;22-,23-;15-,21-,22-;18-,19-,20-;20-,21-;18-,19-/m1111111/s1.
What are the key properties of (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?
(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 has a molecular weight of 3372.41 g/mol, XLogP of 14.96, 51 rotatable bonds, 22 hydrogen bond donors, and 44 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]-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 is sourced from PubChem (CID 157170265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).