2-[(2S)-1-[(2S,4R)-2-[3-[4-(cyclopenten-1-yl)phenyl]propanoyl]-4-hydroxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[(2S)-1-[(2S,4R)-2-[3-[4-(1,5-dimethylimidazol-4-yl)phenyl]propanoyl]-4-hydroxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(3-methylimidazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;1-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methoxy-2H-pyrrol-5-one;(2S,3S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(1-phenylethylamino)pentan-1-one;N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]acetamide;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(1,2,4-oxadiazol-3-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(2H-triazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one

C229H268N28O33S3 — CID 158085953

About 2-[(2S)-1-[(2S,4R)-2-[3-[4-(cyclopenten-1-yl)phenyl]propanoyl]-4-hydroxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[(2S)-1-[(2S,4R)-2-[3-[4-(1,5-dimethylimidazol-4-yl)phenyl]propanoyl]-4-hydroxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(3-methylimidazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;1-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methoxy-2H-pyrrol-5-one;(2S,3S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(1-phenylethylamino)pentan-1-one;N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]acetamide;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(1,2,4-oxadiazol-3-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(2H-triazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one

2-[(2S)-1-[(2S,4R)-2-[3-[4-(cyclopenten-1-yl)phenyl]propanoyl]-4-hydroxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[(2S)-1-[(2S,4R)-2-[3-[4-(1,5-dimethylimidazol-4-yl)phenyl]propanoyl]-4-hydroxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(3-methylimidazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;1-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methoxy-2H-pyrrol-5-one;(2S,3S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(1-phenylethylamino)pentan-1-one;N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]acetamide;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(1,2,4-oxadiazol-3-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(2H-triazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one (PubChem CID 158085953) has the molecular formula C229H268N28O33S3 and a molecular weight of 4037.03 g/mol. Its IUPAC name is 2-[(2S)-1-[(2S,4R)-2-[3-[4-(cyclopenten-1-yl)phenyl]propanoyl]-4-hydroxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[(2S)-1-[(2S,4R)-2-[3-[4-(1,5-dimethylimidazol-4-yl)phenyl]propanoyl]-4-hydroxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(3-methylimidazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;1-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methoxy-2H-pyrrol-5-one;(2S,3S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(1-phenylethylamino)pentan-1-one;N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]acetamide;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(1,2,4-oxadiazol-3-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(2H-triazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one.

Molecular Properties

• Compound Name: 2-[(2S)-1-[(2S,4R)-2-[3-[4-(cyclopenten-1-yl)phenyl]propanoyl]-4-hydroxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[(2S)-1-[(2S,4R)-2-[3-[4-(1,5-dimethylimidazol-4-yl)phenyl]propanoyl]-4-hydroxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(3-methylimidazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;1-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methoxy-2H-pyrrol-5-one;(2S,3S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(1-phenylethylamino)pentan-1-one;N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]acetamide;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(1,2,4-oxadiazol-3-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(2H-triazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one
• PubChem CID: 158085953
• Molecular Formula: C229H268N28O33S3
• Molecular Weight: 4037.03 g/mol
• Exact Mass: 4033.93
• IUPAC Name: 2-[(2S)-1-[(2S,4R)-2-[3-[4-(cyclopenten-1-yl)phenyl]propanoyl]-4-hydroxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[(2S)-1-[(2S,4R)-2-[3-[4-(1,5-dimethylimidazol-4-yl)phenyl]propanoyl]-4-hydroxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(3-methylimidazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;1-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methoxy-2H-pyrrol-5-one;(2S,3S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(1-phenylethylamino)pentan-1-one;N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]acetamide;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(1,2,4-oxadiazol-3-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(2H-triazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one
• SMILES: CC(C)[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)CCc1ccc(-c2cn[nH]n2)cc1)N1Cc2ccccc2C1=O.CC(C)[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)CCc1ccc(-c2cncn2C)cc1)N1Cc2ccccc2C1=O.CC(C)[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)CCc1ccc(-c2ncon2)cc1)N1Cc2ccccc2C1=O.CC(C)[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)CCc1ccc(C2=CCCC2)cc1)N1Cc2ccccc2C1=O.CC[C@H](C)[C@H](NC(C)c1ccccc1)C(=O)N1C[C@H](O)C[C@H]1C(=O)CCc1ccc(-c2scnc2C)cc1.CC[C@H](NC(C)=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)CCc1ccc(-c2scnc2C)cc1.COC1=CC(=O)N([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(-c3scnc3C)cc2)C(C)C)C1.Cc1c(-c2ccc(CCC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3Cc4ccccc4C3=O)cc2)ncn1C
• InChI: InChI=1S/C31H36N4O4.C31H39N3O3S.C31H36N2O4.C30H34N4O4.C28H31N5O4.C28H30N4O5.C27H33N3O5S.C23H29N3O4S/c1-19(2)29(35-16-23-7-5-6-8-25(23)30(35)38)31(39)34-17-24(36)15-26(34)27(37)14-11-21-9-12-22(13-10-21)28-20(3)33(4)18-32-28;1-5-20(2)29(33-21(3)24-9-7-6-8-10-24)31(37)34-18-26(35)17-27(34)28(36)16-13-23-11-14-25(15-12-23)30-22(4)32-19-38-30;1-20(2)29(33-18-24-9-5-6-10-26(24)30(33)36)31(37)32-19-25(34)17-27(32)28(35)16-13-21-11-14-23(15-12-21)22-7-3-4-8-22;1-19(2)28(34-16-22-6-4-5-7-24(22)29(34)37)30(38)33-17-23(35)14-25(33)27(36)13-10-20-8-11-21(12-9-20)26-15-31-18-32(26)3;1-17(2)26(33-15-20-5-3-4-6-22(20)27(33)36)28(37)32-16-21(34)13-24(32)25(35)12-9-18-7-10-19(11-8-18)23-14-29-31-30-23;1-17(2)25(32-14-20-5-3-4-6-22(20)27(32)35)28(36)31-15-21(33)13-23(31)24(34)12-9-18-7-10-19(11-8-18)26-29-16-37-30-26;1-16(2)25(30-14-21(35-4)12-24(30)33)27(34)29-13-20(31)11-22(29)23(32)10-7-18-5-8-19(9-6-18)26-17(3)28-15-36-26;1-4-19(25-15(3)27)23(30)26-12-18(28)11-20(26)21(29)10-7-16-5-8-17(9-6-16)22-14(2)24-13-31-22/h5-10,12-13,18-19,24,26,29,36H,11,14-17H2,1-4H3;6-12,14-15,19-21,26-27,29,33,35H,5,13,16-18H2,1-4H3;5-7,9-12,14-15,20,25,27,29,34H,3-4,8,13,16-19H2,1-2H3;4-9,11-12,15,18-19,23,25,28,35H,10,13-14,16-17H2,1-3H3;3-8,10-11,14,17,21,24,26,34H,9,12-13,15-16H2,1-2H3,(H,29,30,31);3-8,10-11,16-17,21,23,25,33H,9,12-15H2,1-2H3;5-6,8-9,12,15-16,20,22,25,31H,7,10-11,13-14H2,1-4H3;5-6,8-9,13,18-20,28H,4,7,10-12H2,1-3H3,(H,25,27)/t24-,26+,29+;20-,21?,26+,27-,29-;25-,27+,29+;23-,25+,28+;21-,24+,26+;21-,23+,25+;20-,22+,25+;18-,19+,20+/m10111111/s1
• InChIKey: FNMZYIMZWSOVHK-XMWBRADDSA-N
• XLogP: 27.49
• TPSA: 787.90 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 48
• Rotatable Bonds: 68
• Heavy Atoms: 293
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4037.03
LogP ≤ 5	27.49
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	48

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[(2S,4R)-2-[3-[4-(cyclopenten-1-yl)phenyl]propanoyl]-4-hydroxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[(2S)-1-[(2S,4R)-2-[3-[4-(1,5-dimethylimidazol-4-yl)phenyl]propanoyl]-4-hydroxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(3-methylimidazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;1-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methoxy-2H-pyrrol-5-one;(2S,3S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(1-phenylethylamino)pentan-1-one;N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]acetamide;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(1,2,4-oxadiazol-3-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(2H-triazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one?

The IUPAC name of 2-[(2S)-1-[(2S,4R)-2-[3-[4-(cyclopenten-1-yl)phenyl]propanoyl]-4-hydroxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[(2S)-1-[(2S,4R)-2-[3-[4-(1,5-dimethylimidazol-4-yl)phenyl]propanoyl]-4-hydroxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(3-methylimidazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;1-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methoxy-2H-pyrrol-5-one;(2S,3S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(1-phenylethylamino)pentan-1-one;N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]acetamide;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(1,2,4-oxadiazol-3-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(2H-triazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one (CID 158085953) is 2-[(2S)-1-[(2S,4R)-2-[3-[4-(cyclopenten-1-yl)phenyl]propanoyl]-4-hydroxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[(2S)-1-[(2S,4R)-2-[3-[4-(1,5-dimethylimidazol-4-yl)phenyl]propanoyl]-4-hydroxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(3-methylimidazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;1-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methoxy-2H-pyrrol-5-one;(2S,3S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(1-phenylethylamino)pentan-1-one;N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]acetamide;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(1,2,4-oxadiazol-3-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(2H-triazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one.

What is the SMILES notation for 2-[(2S)-1-[(2S,4R)-2-[3-[4-(cyclopenten-1-yl)phenyl]propanoyl]-4-hydroxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[(2S)-1-[(2S,4R)-2-[3-[4-(1,5-dimethylimidazol-4-yl)phenyl]propanoyl]-4-hydroxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(3-methylimidazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;1-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methoxy-2H-pyrrol-5-one;(2S,3S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(1-phenylethylamino)pentan-1-one;N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]acetamide;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(1,2,4-oxadiazol-3-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(2H-triazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one?

The canonical SMILES for 2-[(2S)-1-[(2S,4R)-2-[3-[4-(cyclopenten-1-yl)phenyl]propanoyl]-4-hydroxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[(2S)-1-[(2S,4R)-2-[3-[4-(1,5-dimethylimidazol-4-yl)phenyl]propanoyl]-4-hydroxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(3-methylimidazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;1-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methoxy-2H-pyrrol-5-one;(2S,3S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(1-phenylethylamino)pentan-1-one;N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]acetamide;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(1,2,4-oxadiazol-3-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(2H-triazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one is CC(C)[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)CCc1ccc(-c2cn[nH]n2)cc1)N1Cc2ccccc2C1=O.CC(C)[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)CCc1ccc(-c2cncn2C)cc1)N1Cc2ccccc2C1=O.CC(C)[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)CCc1ccc(-c2ncon2)cc1)N1Cc2ccccc2C1=O.CC(C)[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)CCc1ccc(C2=CCCC2)cc1)N1Cc2ccccc2C1=O.CC[C@H](C)[C@H](NC(C)c1ccccc1)C(=O)N1C[C@H](O)C[C@H]1C(=O)CCc1ccc(-c2scnc2C)cc1.CC[C@H](NC(C)=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)CCc1ccc(-c2scnc2C)cc1.COC1=CC(=O)N([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(-c3scnc3C)cc2)C(C)C)C1.Cc1c(-c2ccc(CCC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3Cc4ccccc4C3=O)cc2)ncn1C.

What is the InChIKey of 2-[(2S)-1-[(2S,4R)-2-[3-[4-(cyclopenten-1-yl)phenyl]propanoyl]-4-hydroxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[(2S)-1-[(2S,4R)-2-[3-[4-(1,5-dimethylimidazol-4-yl)phenyl]propanoyl]-4-hydroxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(3-methylimidazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;1-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methoxy-2H-pyrrol-5-one;(2S,3S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(1-phenylethylamino)pentan-1-one;N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]acetamide;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(1,2,4-oxadiazol-3-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(2H-triazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one?

The InChIKey is FNMZYIMZWSOVHK-XMWBRADDSA-N. The full InChI is InChI=1S/C31H36N4O4.C31H39N3O3S.C31H36N2O4.C30H34N4O4.C28H31N5O4.C28H30N4O5.C27H33N3O5S.C23H29N3O4S/c1-19(2)29(35-16-23-7-5-6-8-25(23)30(35)38)31(39)34-17-24(36)15-26(34)27(37)14-11-21-9-12-22(13-10-21)28-20(3)33(4)18-32-28;1-5-20(2)29(33-21(3)24-9-7-6-8-10-24)31(37)34-18-26(35)17-27(34)28(36)16-13-23-11-14-25(15-12-23)30-22(4)32-19-38-30;1-20(2)29(33-18-24-9-5-6-10-26(24)30(33)36)31(37)32-19-25(34)17-27(32)28(35)16-13-21-11-14-23(15-12-21)22-7-3-4-8-22;1-19(2)28(34-16-22-6-4-5-7-24(22)29(34)37)30(38)33-17-23(35)14-25(33)27(36)13-10-20-8-11-21(12-9-20)26-15-31-18-32(26)3;1-17(2)26(33-15-20-5-3-4-6-22(20)27(33)36)28(37)32-16-21(34)13-24(32)25(35)12-9-18-7-10-19(11-8-18)23-14-29-31-30-23;1-17(2)25(32-14-20-5-3-4-6-22(20)27(32)35)28(36)31-15-21(33)13-23(31)24(34)12-9-18-7-10-19(11-8-18)26-29-16-37-30-26;1-16(2)25(30-14-21(35-4)12-24(30)33)27(34)29-13-20(31)11-22(29)23(32)10-7-18-5-8-19(9-6-18)26-17(3)28-15-36-26;1-4-19(25-15(3)27)23(30)26-12-18(28)11-20(26)21(29)10-7-16-5-8-17(9-6-16)22-14(2)24-13-31-22/h5-10,12-13,18-19,24,26,29,36H,11,14-17H2,1-4H3;6-12,14-15,19-21,26-27,29,33,35H,5,13,16-18H2,1-4H3;5-7,9-12,14-15,20,25,27,29,34H,3-4,8,13,16-19H2,1-2H3;4-9,11-12,15,18-19,23,25,28,35H,10,13-14,16-17H2,1-3H3;3-8,10-11,14,17,21,24,26,34H,9,12-13,15-16H2,1-2H3,(H,29,30,31);3-8,10-11,16-17,21,23,25,33H,9,12-15H2,1-2H3;5-6,8-9,12,15-16,20,22,25,31H,7,10-11,13-14H2,1-4H3;5-6,8-9,13,18-20,28H,4,7,10-12H2,1-3H3,(H,25,27)/t24-,26+,29+;20-,21?,26+,27-,29-;25-,27+,29+;23-,25+,28+;21-,24+,26+;21-,23+,25+;20-,22+,25+;18-,19+,20+/m10111111/s1.

What are the key properties of 2-[(2S)-1-[(2S,4R)-2-[3-[4-(cyclopenten-1-yl)phenyl]propanoyl]-4-hydroxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[(2S)-1-[(2S,4R)-2-[3-[4-(1,5-dimethylimidazol-4-yl)phenyl]propanoyl]-4-hydroxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(3-methylimidazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;1-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methoxy-2H-pyrrol-5-one;(2S,3S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(1-phenylethylamino)pentan-1-one;N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]acetamide;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(1,2,4-oxadiazol-3-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(2H-triazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one?

2-[(2S)-1-[(2S,4R)-2-[3-[4-(cyclopenten-1-yl)phenyl]propanoyl]-4-hydroxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[(2S)-1-[(2S,4R)-2-[3-[4-(1,5-dimethylimidazol-4-yl)phenyl]propanoyl]-4-hydroxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(3-methylimidazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;1-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methoxy-2H-pyrrol-5-one;(2S,3S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(1-phenylethylamino)pentan-1-one;N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]acetamide;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(1,2,4-oxadiazol-3-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(2H-triazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one has a molecular weight of 4037.03 g/mol, XLogP of 27.49, 68 rotatable bonds, 11 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S)-1-[(2S,4R)-2-[3-[4-(cyclopenten-1-yl)phenyl]propanoyl]-4-hydroxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[(2S)-1-[(2S,4R)-2-[3-[4-(1,5-dimethylimidazol-4-yl)phenyl]propanoyl]-4-hydroxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(3-methylimidazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;1-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methoxy-2H-pyrrol-5-one;(2S,3S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(1-phenylethylamino)pentan-1-one;N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]acetamide;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(1,2,4-oxadiazol-3-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(2H-triazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one is sourced from PubChem (CID 158085953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).