(2R,3R)-N-[(1R)-1-(4-benzylphenyl)ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1S)-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)-N-[(1R)-1-[1-(cyclopropylmethyl)pyrazol-3-yl]ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1S)-1-[4-(2-methylpropoxy)phenyl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(1-phenylpyrazol-3-yl)ethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[(1R)-1-[4-(3-fluoro-4-pyridinyl)phenyl]ethyl]-2,3-dihydroxy-4-oxobutanamide

C194H205Cl2F4N25O33 — CID 160549341

IUPAC(2R,3R)-N-[(1R)-1-(4-benzylphenyl)ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1S)-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)-N-[(1R)-1-[1-(cyclopropylmethyl)pyrazol-3-yl]ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1S)-1-[4-(2-methylpropoxy)phenyl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(1-phenylpyrazol-3-yl)ethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[(1R)-1-[4-(3-fluoro-4-pyridinyl)phenyl]ethyl]-2,3-dihydroxy-4-oxobutanamide
SMILESCC(C)COc1ccc([C@H](C)NC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1)c1ccc(-c2ccccc2C(F)(F)F)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1)c1ccc(-c2ccncc2F)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1)c1ccc(Cc2ccccc2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1)c1ccn(-c2ccccc2)n1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1)c1ccn(CC2CC2)n1.C[C@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1)c1ccn(Cc2ccccc2Cl)n1.O=C(NCc1ccn(Cc2ccccc2Cl)n1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1
InChIInChI=1S/C27H25F3N2O4.C27H28N2O4.C25H24FN3O4.C24H25ClN4O4.C24H30N2O5.C23H23ClN4O4.C23H24N4O4.C21H26N4O4/c1-16(17-10-12-18(13-11-17)21-8-4-5-9-22(21)27(28,29)30)31-25(35)23(33)24(34)26(36)32-14-19-6-2-3-7-20(19)15-32;1-18(21-13-11-20(12-14-21)15-19-7-3-2-4-8-19)28-26(32)24(30)25(31)27(33)29-16-22-9-5-6-10-23(22)17-29;1-15(16-6-8-17(9-7-16)20-10-11-27-12-21(20)26)28-24(32)22(30)23(31)25(33)29-13-18-4-2-3-5-19(18)14-29;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;1-15(2)14-31-20-10-8-17(9-11-20)16(3)25-23(29)21(27)22(28)24(30)26-12-18-6-4-5-7-19(18)13-26;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;1-15(19-11-12-27(25-19)18-9-3-2-4-10-18)24-22(30)20(28)21(29)23(31)26-13-16-7-5-6-8-17(16)14-26;1-13(17-8-9-25(23-17)10-14-6-7-14)22-20(28)18(26)19(27)21(29)24-11-15-4-2-3-5-16(15)12-24/h2-13,16,23-24,33-34H,14-15H2,1H3,(H,31,35);2-14,18,24-25,30-31H,15-17H2,1H3,(H,28,32);2-12,15,22-23,30-31H,13-14H2,1H3,(H,28,32);2-11,15,21-22,30-31H,12-14H2,1H3,(H,26,32);4-11,15-16,21-22,27-28H,12-14H2,1-3H3,(H,25,29);1-10,20-21,29-30H,11-14H2,(H,25,31);2-12,15,20-21,28-29H,13-14H2,1H3,(H,24,30);2-5,8-9,13-14,18-19,26-27H,6-7,10-12H2,1H3,(H,22,28)/t16-,23-,24-;18-,24-,25-;15-,22-,23-;15-,21+,22+;16-,21+,22+;20-,21-;15-,20-,21-;13-,18-,19-/m11100111/s1
InChIKeyQXVSOZPEMHUBSW-RUVATQDPSA-N
MW3561.81 g/mol
LogP16.56
Rot. Bonds54

About (2R,3R)-N-[(1R)-1-(4-benzylphenyl)ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1S)-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)-N-[(1R)-1-[1-(cyclopropylmethyl)pyrazol-3-yl]ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1S)-1-[4-(2-methylpropoxy)phenyl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(1-phenylpyrazol-3-yl)ethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[(1R)-1-[4-(3-fluoro-4-pyridinyl)phenyl]ethyl]-2,3-dihydroxy-4-oxobutanamide

(2R,3R)-N-[(1R)-1-(4-benzylphenyl)ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1S)-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)-N-[(1R)-1-[1-(cyclopropylmethyl)pyrazol-3-yl]ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1S)-1-[4-(2-methylpropoxy)phenyl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(1-phenylpyrazol-3-yl)ethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[(1R)-1-[4-(3-fluoro-4-pyridinyl)phenyl]ethyl]-2,3-dihydroxy-4-oxobutanamide (PubChem CID 160549341) has the molecular formula C194H205Cl2F4N25O33 and a molecular weight of 3561.81 g/mol. Its IUPAC name is (2R,3R)-N-[(1R)-1-(4-benzylphenyl)ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1S)-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)-N-[(1R)-1-[1-(cyclopropylmethyl)pyrazol-3-yl]ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1S)-1-[4-(2-methylpropoxy)phenyl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(1-phenylpyrazol-3-yl)ethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[(1R)-1-[4-(3-fluoro-4-pyridinyl)phenyl]ethyl]-2,3-dihydroxy-4-oxobutanamide.

Molecular Properties

Compound Name(2R,3R)-N-[(1R)-1-(4-benzylphenyl)ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1S)-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)-N-[(1R)-1-[1-(cyclopropylmethyl)pyrazol-3-yl]ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1S)-1-[4-(2-methylpropoxy)phenyl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(1-phenylpyrazol-3-yl)ethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[(1R)-1-[4-(3-fluoro-4-pyridinyl)phenyl]ethyl]-2,3-dihydroxy-4-oxobutanamide
PubChem CID160549341
Molecular FormulaC194H205Cl2F4N25O33
Molecular Weight3561.81 g/mol
Exact Mass3558.44
IUPAC Name(2R,3R)-N-[(1R)-1-(4-benzylphenyl)ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1S)-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)-N-[(1R)-1-[1-(cyclopropylmethyl)pyrazol-3-yl]ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1S)-1-[4-(2-methylpropoxy)phenyl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(1-phenylpyrazol-3-yl)ethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[(1R)-1-[4-(3-fluoro-4-pyridinyl)phenyl]ethyl]-2,3-dihydroxy-4-oxobutanamide
SMILESCC(C)COc1ccc([C@H](C)NC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1)c1ccc(-c2ccccc2C(F)(F)F)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1)c1ccc(-c2ccncc2F)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1)c1ccc(Cc2ccccc2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1)c1ccn(-c2ccccc2)n1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1)c1ccn(CC2CC2)n1.C[C@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1)c1ccn(Cc2ccccc2Cl)n1.O=C(NCc1ccn(Cc2ccccc2Cl)n1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1
InChIInChI=1S/C27H25F3N2O4.C27H28N2O4.C25H24FN3O4.C24H25ClN4O4.C24H30N2O5.C23H23ClN4O4.C23H24N4O4.C21H26N4O4/c1-16(17-10-12-18(13-11-17)21-8-4-5-9-22(21)27(28,29)30)31-25(35)23(33)24(34)26(36)32-14-19-6-2-3-7-20(19)15-32;1-18(21-13-11-20(12-14-21)15-19-7-3-2-4-8-19)28-26(32)24(30)25(31)27(33)29-16-22-9-5-6-10-23(22)17-29;1-15(16-6-8-17(9-7-16)20-10-11-27-12-21(20)26)28-24(32)22(30)23(31)25(33)29-13-18-4-2-3-5-19(18)14-29;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;1-15(2)14-31-20-10-8-17(9-11-20)16(3)25-23(29)21(27)22(28)24(30)26-12-18-6-4-5-7-19(18)13-26;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;1-15(19-11-12-27(25-19)18-9-3-2-4-10-18)24-22(30)20(28)21(29)23(31)26-13-16-7-5-6-8-17(16)14-26;1-13(17-8-9-25(23-17)10-14-6-7-14)22-20(28)18(26)19(27)21(29)24-11-15-4-2-3-5-16(15)12-24/h2-13,16,23-24,33-34H,14-15H2,1H3,(H,31,35);2-14,18,24-25,30-31H,15-17H2,1H3,(H,28,32);2-12,15,22-23,30-31H,13-14H2,1H3,(H,28,32);2-11,15,21-22,30-31H,12-14H2,1H3,(H,26,32);4-11,15-16,21-22,27-28H,12-14H2,1-3H3,(H,25,29);1-10,20-21,29-30H,11-14H2,(H,25,31);2-12,15,20-21,28-29H,13-14H2,1H3,(H,24,30);2-5,8-9,13-14,18-19,26-27H,6-7,10-12H2,1H3,(H,22,28)/t16-,23-,24-;18-,24-,25-;15-,22-,23-;15-,21+,22+;16-,21+,22+;20-,21-;15-,20-,21-;13-,18-,19-/m11100111/s1
InChIKeyQXVSOZPEMHUBSW-RUVATQDPSA-N
XLogP16.56
TPSA812.36 Ų
H-Bond Donors24
H-Bond Acceptors42
Rotatable Bonds54
Heavy Atoms258
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003561.81
LogP ≤ 516.56
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1042

Analyze (2R,3R)-N-[(1R)-1-(4-benzylphenyl)ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1S)-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)-N-[(1R)-1-[1-(cyclopropylmethyl)pyrazol-3-yl]ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1S)-1-[4-(2-methylpropoxy)phenyl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(1-phenylpyrazol-3-yl)ethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[(1R)-1-[4-(3-fluoro-4-pyridinyl)phenyl]ethyl]-2,3-dihydroxy-4-oxobutanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[(1R)-1-(4-benzylphenyl)ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1S)-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)-N-[(1R)-1-[1-(cyclopropylmethyl)pyrazol-3-yl]ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1S)-1-[4-(2-methylpropoxy)phenyl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(1-phenylpyrazol-3-yl)ethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[(1R)-1-[4-(3-fluoro-4-pyridinyl)phenyl]ethyl]-2,3-dihydroxy-4-oxobutanamide?
The IUPAC name of (2R,3R)-N-[(1R)-1-(4-benzylphenyl)ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1S)-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)-N-[(1R)-1-[1-(cyclopropylmethyl)pyrazol-3-yl]ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1S)-1-[4-(2-methylpropoxy)phenyl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(1-phenylpyrazol-3-yl)ethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[(1R)-1-[4-(3-fluoro-4-pyridinyl)phenyl]ethyl]-2,3-dihydroxy-4-oxobutanamide (CID 160549341) is (2R,3R)-N-[(1R)-1-(4-benzylphenyl)ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1S)-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)-N-[(1R)-1-[1-(cyclopropylmethyl)pyrazol-3-yl]ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1S)-1-[4-(2-methylpropoxy)phenyl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(1-phenylpyrazol-3-yl)ethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[(1R)-1-[4-(3-fluoro-4-pyridinyl)phenyl]ethyl]-2,3-dihydroxy-4-oxobutanamide.
What is the SMILES notation for (2R,3R)-N-[(1R)-1-(4-benzylphenyl)ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1S)-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)-N-[(1R)-1-[1-(cyclopropylmethyl)pyrazol-3-yl]ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1S)-1-[4-(2-methylpropoxy)phenyl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(1-phenylpyrazol-3-yl)ethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[(1R)-1-[4-(3-fluoro-4-pyridinyl)phenyl]ethyl]-2,3-dihydroxy-4-oxobutanamide?
The canonical SMILES for (2R,3R)-N-[(1R)-1-(4-benzylphenyl)ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1S)-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)-N-[(1R)-1-[1-(cyclopropylmethyl)pyrazol-3-yl]ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1S)-1-[4-(2-methylpropoxy)phenyl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(1-phenylpyrazol-3-yl)ethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[(1R)-1-[4-(3-fluoro-4-pyridinyl)phenyl]ethyl]-2,3-dihydroxy-4-oxobutanamide is CC(C)COc1ccc([C@H](C)NC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1)c1ccc(-c2ccccc2C(F)(F)F)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1)c1ccc(-c2ccncc2F)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1)c1ccc(Cc2ccccc2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1)c1ccn(-c2ccccc2)n1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1)c1ccn(CC2CC2)n1.C[C@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1)c1ccn(Cc2ccccc2Cl)n1.O=C(NCc1ccn(Cc2ccccc2Cl)n1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.
What is the InChIKey of (2R,3R)-N-[(1R)-1-(4-benzylphenyl)ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1S)-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)-N-[(1R)-1-[1-(cyclopropylmethyl)pyrazol-3-yl]ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1S)-1-[4-(2-methylpropoxy)phenyl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(1-phenylpyrazol-3-yl)ethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[(1R)-1-[4-(3-fluoro-4-pyridinyl)phenyl]ethyl]-2,3-dihydroxy-4-oxobutanamide?
The InChIKey is QXVSOZPEMHUBSW-RUVATQDPSA-N. The full InChI is InChI=1S/C27H25F3N2O4.C27H28N2O4.C25H24FN3O4.C24H25ClN4O4.C24H30N2O5.C23H23ClN4O4.C23H24N4O4.C21H26N4O4/c1-16(17-10-12-18(13-11-17)21-8-4-5-9-22(21)27(28,29)30)31-25(35)23(33)24(34)26(36)32-14-19-6-2-3-7-20(19)15-32;1-18(21-13-11-20(12-14-21)15-19-7-3-2-4-8-19)28-26(32)24(30)25(31)27(33)29-16-22-9-5-6-10-23(22)17-29;1-15(16-6-8-17(9-7-16)20-10-11-27-12-21(20)26)28-24(32)22(30)23(31)25(33)29-13-18-4-2-3-5-19(18)14-29;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;1-15(2)14-31-20-10-8-17(9-11-20)16(3)25-23(29)21(27)22(28)24(30)26-12-18-6-4-5-7-19(18)13-26;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;1-15(19-11-12-27(25-19)18-9-3-2-4-10-18)24-22(30)20(28)21(29)23(31)26-13-16-7-5-6-8-17(16)14-26;1-13(17-8-9-25(23-17)10-14-6-7-14)22-20(28)18(26)19(27)21(29)24-11-15-4-2-3-5-16(15)12-24/h2-13,16,23-24,33-34H,14-15H2,1H3,(H,31,35);2-14,18,24-25,30-31H,15-17H2,1H3,(H,28,32);2-12,15,22-23,30-31H,13-14H2,1H3,(H,28,32);2-11,15,21-22,30-31H,12-14H2,1H3,(H,26,32);4-11,15-16,21-22,27-28H,12-14H2,1-3H3,(H,25,29);1-10,20-21,29-30H,11-14H2,(H,25,31);2-12,15,20-21,28-29H,13-14H2,1H3,(H,24,30);2-5,8-9,13-14,18-19,26-27H,6-7,10-12H2,1H3,(H,22,28)/t16-,23-,24-;18-,24-,25-;15-,22-,23-;15-,21+,22+;16-,21+,22+;20-,21-;15-,20-,21-;13-,18-,19-/m11100111/s1.
What are the key properties of (2R,3R)-N-[(1R)-1-(4-benzylphenyl)ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1S)-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)-N-[(1R)-1-[1-(cyclopropylmethyl)pyrazol-3-yl]ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1S)-1-[4-(2-methylpropoxy)phenyl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(1-phenylpyrazol-3-yl)ethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[(1R)-1-[4-(3-fluoro-4-pyridinyl)phenyl]ethyl]-2,3-dihydroxy-4-oxobutanamide?
(2R,3R)-N-[(1R)-1-(4-benzylphenyl)ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1S)-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)-N-[(1R)-1-[1-(cyclopropylmethyl)pyrazol-3-yl]ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1S)-1-[4-(2-methylpropoxy)phenyl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(1-phenylpyrazol-3-yl)ethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[(1R)-1-[4-(3-fluoro-4-pyridinyl)phenyl]ethyl]-2,3-dihydroxy-4-oxobutanamide has a molecular weight of 3561.81 g/mol, XLogP of 16.56, 54 rotatable bonds, 24 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[(1R)-1-(4-benzylphenyl)ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1S)-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)-N-[(1R)-1-[1-(cyclopropylmethyl)pyrazol-3-yl]ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1S)-1-[4-(2-methylpropoxy)phenyl]ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(1-phenylpyrazol-3-yl)ethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[(1R)-1-[4-(3-fluoro-4-pyridinyl)phenyl]ethyl]-2,3-dihydroxy-4-oxobutanamide is sourced from PubChem (CID 160549341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).