1-[(2S,4R)-1-(3-amino-2-methylbenzoyl)-4-hydroxypyrrolidin-2-yl]-3-[4-(3-methylthiophen-2-yl)phenyl]propan-1-one;(2S,4R)-4-hydroxy-1-[3-(4-hydroxyphenyl)benzoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[3-(4-hydroxyphenyl)benzoyl]-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(3R)-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(4-methylphenyl)-5-phenylpentan-1-one;1-[(2S,4R)-4-hydroxy-1-(5-methylpyridine-3-carbonyl)pyrrolidin-2-yl]-3-(4-methylphenyl)propan-1-one;(2S,4R)-4-hydroxy-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]-1-(3-phenylbenzoyl)pyrrolidine-2-carboxamide

C160H161N15O23S2 — CID 160632055

IUPAC1-[(2S,4R)-1-(3-amino-2-methylbenzoyl)-4-hydroxypyrrolidin-2-yl]-3-[4-(3-methylthiophen-2-yl)phenyl]propan-1-one;(2S,4R)-4-hydroxy-1-[3-(4-hydroxyphenyl)benzoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[3-(4-hydroxyphenyl)benzoyl]-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(3R)-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(4-methylphenyl)-5-phenylpentan-1-one;1-[(2S,4R)-4-hydroxy-1-(5-methylpyridine-3-carbonyl)pyrrolidin-2-yl]-3-(4-methylphenyl)propan-1-one;(2S,4R)-4-hydroxy-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]-1-(3-phenylbenzoyl)pyrrolidine-2-carboxamide
SMILESCc1ccc(CCC(=O)[C@@H]2C[C@@H](O)CN2C(=O)c2cncc(C)c2)cc1.Cc1ccc([C@H](CCc2ccccc2)CC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2cc(C)no2)cc1.Cc1ccsc1-c1ccc(CCC(=O)[C@@H]2C[C@@H](O)CN2C(=O)c2cccc(N)c2C)cc1.Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)c2cccc(-c3ccc(O)cc3)c2)cc1.O=C(NCc1ccc(-c2cnco2)cc1)[C@@H]1C[C@@H](O)CN1C(=O)c1cccc(-c2ccc(O)cc2)c1.O=C(NCc1ccc(-c2cnco2)cc1)[C@@H]1C[C@@H](O)CN1C(=O)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C29H27N3O4S.C28H25N3O5.C28H25N3O4.C28H32N2O4.C26H28N2O3S.C21H24N2O3/c1-18-27(37-17-31-18)21-7-5-19(6-8-21)15-30-28(35)26-14-25(34)16-32(26)29(36)23-4-2-3-22(13-23)20-9-11-24(33)12-10-20;32-23-10-8-19(9-11-23)21-2-1-3-22(12-21)28(35)31-16-24(33)13-25(31)27(34)30-14-18-4-6-20(7-5-18)26-15-29-17-36-26;32-24-14-25(27(33)30-15-19-9-11-21(12-10-19)26-16-29-18-35-26)31(17-24)28(34)23-8-4-7-22(13-23)20-5-2-1-3-6-20;1-19-8-11-22(12-9-19)23(13-10-21-6-4-3-5-7-21)15-27(32)26-16-24(31)18-30(26)28(33)17-25-14-20(2)29-34-25;1-16-12-13-32-25(16)19-9-6-18(7-10-19)8-11-24(30)23-14-20(29)15-28(23)26(31)21-4-3-5-22(27)17(21)2;1-14-3-5-16(6-4-14)7-8-20(25)19-10-18(24)13-23(19)21(26)17-9-15(2)11-22-12-17/h2-13,17,25-26,33-34H,14-16H2,1H3,(H,30,35);1-12,15,17,24-25,32-33H,13-14,16H2,(H,30,34);1-13,16,18,24-25,32H,14-15,17H2,(H,30,33);3-9,11-12,14,23-24,26,31H,10,13,15-18H2,1-2H3;3-7,9-10,12-13,20,23,29H,8,11,14-15,27H2,1-2H3;3-6,9,11-12,18-19,24H,7-8,10,13H2,1-2H3/t25-,26+;2*24-,25+;23-,24-,26+;20-,23+;18-,19+/m111111/s1
InChIKeyRIARGLYQJAELKA-TUPACEHCSA-N
MW2726.26 g/mol
LogP22.93
Rot. Bonds38

About 1-[(2S,4R)-1-(3-amino-2-methylbenzoyl)-4-hydroxypyrrolidin-2-yl]-3-[4-(3-methylthiophen-2-yl)phenyl]propan-1-one;(2S,4R)-4-hydroxy-1-[3-(4-hydroxyphenyl)benzoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[3-(4-hydroxyphenyl)benzoyl]-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(3R)-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(4-methylphenyl)-5-phenylpentan-1-one;1-[(2S,4R)-4-hydroxy-1-(5-methylpyridine-3-carbonyl)pyrrolidin-2-yl]-3-(4-methylphenyl)propan-1-one;(2S,4R)-4-hydroxy-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]-1-(3-phenylbenzoyl)pyrrolidine-2-carboxamide

1-[(2S,4R)-1-(3-amino-2-methylbenzoyl)-4-hydroxypyrrolidin-2-yl]-3-[4-(3-methylthiophen-2-yl)phenyl]propan-1-one;(2S,4R)-4-hydroxy-1-[3-(4-hydroxyphenyl)benzoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[3-(4-hydroxyphenyl)benzoyl]-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(3R)-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(4-methylphenyl)-5-phenylpentan-1-one;1-[(2S,4R)-4-hydroxy-1-(5-methylpyridine-3-carbonyl)pyrrolidin-2-yl]-3-(4-methylphenyl)propan-1-one;(2S,4R)-4-hydroxy-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]-1-(3-phenylbenzoyl)pyrrolidine-2-carboxamide (PubChem CID 160632055) has the molecular formula C160H161N15O23S2 and a molecular weight of 2726.26 g/mol. Its IUPAC name is 1-[(2S,4R)-1-(3-amino-2-methylbenzoyl)-4-hydroxypyrrolidin-2-yl]-3-[4-(3-methylthiophen-2-yl)phenyl]propan-1-one;(2S,4R)-4-hydroxy-1-[3-(4-hydroxyphenyl)benzoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[3-(4-hydroxyphenyl)benzoyl]-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(3R)-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(4-methylphenyl)-5-phenylpentan-1-one;1-[(2S,4R)-4-hydroxy-1-(5-methylpyridine-3-carbonyl)pyrrolidin-2-yl]-3-(4-methylphenyl)propan-1-one;(2S,4R)-4-hydroxy-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]-1-(3-phenylbenzoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(2S,4R)-1-(3-amino-2-methylbenzoyl)-4-hydroxypyrrolidin-2-yl]-3-[4-(3-methylthiophen-2-yl)phenyl]propan-1-one;(2S,4R)-4-hydroxy-1-[3-(4-hydroxyphenyl)benzoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[3-(4-hydroxyphenyl)benzoyl]-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(3R)-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(4-methylphenyl)-5-phenylpentan-1-one;1-[(2S,4R)-4-hydroxy-1-(5-methylpyridine-3-carbonyl)pyrrolidin-2-yl]-3-(4-methylphenyl)propan-1-one;(2S,4R)-4-hydroxy-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]-1-(3-phenylbenzoyl)pyrrolidine-2-carboxamide
PubChem CID160632055
Molecular FormulaC160H161N15O23S2
Molecular Weight2726.26 g/mol
Exact Mass2724.13
IUPAC Name1-[(2S,4R)-1-(3-amino-2-methylbenzoyl)-4-hydroxypyrrolidin-2-yl]-3-[4-(3-methylthiophen-2-yl)phenyl]propan-1-one;(2S,4R)-4-hydroxy-1-[3-(4-hydroxyphenyl)benzoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[3-(4-hydroxyphenyl)benzoyl]-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(3R)-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(4-methylphenyl)-5-phenylpentan-1-one;1-[(2S,4R)-4-hydroxy-1-(5-methylpyridine-3-carbonyl)pyrrolidin-2-yl]-3-(4-methylphenyl)propan-1-one;(2S,4R)-4-hydroxy-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]-1-(3-phenylbenzoyl)pyrrolidine-2-carboxamide
SMILESCc1ccc(CCC(=O)[C@@H]2C[C@@H](O)CN2C(=O)c2cncc(C)c2)cc1.Cc1ccc([C@H](CCc2ccccc2)CC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2cc(C)no2)cc1.Cc1ccsc1-c1ccc(CCC(=O)[C@@H]2C[C@@H](O)CN2C(=O)c2cccc(N)c2C)cc1.Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)c2cccc(-c3ccc(O)cc3)c2)cc1.O=C(NCc1ccc(-c2cnco2)cc1)[C@@H]1C[C@@H](O)CN1C(=O)c1cccc(-c2ccc(O)cc2)c1.O=C(NCc1ccc(-c2cnco2)cc1)[C@@H]1C[C@@H](O)CN1C(=O)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C29H27N3O4S.C28H25N3O5.C28H25N3O4.C28H32N2O4.C26H28N2O3S.C21H24N2O3/c1-18-27(37-17-31-18)21-7-5-19(6-8-21)15-30-28(35)26-14-25(34)16-32(26)29(36)23-4-2-3-22(13-23)20-9-11-24(33)12-10-20;32-23-10-8-19(9-11-23)21-2-1-3-22(12-21)28(35)31-16-24(33)13-25(31)27(34)30-14-18-4-6-20(7-5-18)26-15-29-17-36-26;32-24-14-25(27(33)30-15-19-9-11-21(12-10-19)26-16-29-18-35-26)31(17-24)28(34)23-8-4-7-22(13-23)20-5-2-1-3-6-20;1-19-8-11-22(12-9-19)23(13-10-21-6-4-3-5-7-21)15-27(32)26-16-24(31)18-30(26)28(33)17-25-14-20(2)29-34-25;1-16-12-13-32-25(16)19-9-6-18(7-10-19)8-11-24(30)23-14-20(29)15-28(23)26(31)21-4-3-5-22(27)17(21)2;1-14-3-5-16(6-4-14)7-8-20(25)19-10-18(24)13-23(19)21(26)17-9-15(2)11-22-12-17/h2-13,17,25-26,33-34H,14-16H2,1H3,(H,30,35);1-12,15,17,24-25,32-33H,13-14,16H2,(H,30,34);1-13,16,18,24-25,32H,14-15,17H2,(H,30,33);3-9,11-12,14,23-24,26,31H,10,13,15-18H2,1-2H3;3-7,9-10,12-13,20,23,29H,8,11,14-15,27H2,1-2H3;3-6,9,11-12,18-19,24H,7-8,10,13H2,1-2H3/t25-,26+;2*24-,25+;23-,24-,26+;20-,23+;18-,19+/m111111/s1
InChIKeyRIARGLYQJAELKA-TUPACEHCSA-N
XLogP22.93
TPSA552.10 Ų
H-Bond Donors12
H-Bond Acceptors31
Rotatable Bonds38
Heavy Atoms200
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002726.26
LogP ≤ 522.93
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-[(2S,4R)-1-(3-amino-2-methylbenzoyl)-4-hydroxypyrrolidin-2-yl]-3-[4-(3-methylthiophen-2-yl)phenyl]propan-1-one;(2S,4R)-4-hydroxy-1-[3-(4-hydroxyphenyl)benzoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[3-(4-hydroxyphenyl)benzoyl]-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(3R)-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(4-methylphenyl)-5-phenylpentan-1-one;1-[(2S,4R)-4-hydroxy-1-(5-methylpyridine-3-carbonyl)pyrrolidin-2-yl]-3-(4-methylphenyl)propan-1-one;(2S,4R)-4-hydroxy-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]-1-(3-phenylbenzoyl)pyrrolidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4R)-1-(3-amino-2-methylbenzoyl)-4-hydroxypyrrolidin-2-yl]-3-[4-(3-methylthiophen-2-yl)phenyl]propan-1-one;(2S,4R)-4-hydroxy-1-[3-(4-hydroxyphenyl)benzoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[3-(4-hydroxyphenyl)benzoyl]-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(3R)-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(4-methylphenyl)-5-phenylpentan-1-one;1-[(2S,4R)-4-hydroxy-1-(5-methylpyridine-3-carbonyl)pyrrolidin-2-yl]-3-(4-methylphenyl)propan-1-one;(2S,4R)-4-hydroxy-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]-1-(3-phenylbenzoyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(2S,4R)-1-(3-amino-2-methylbenzoyl)-4-hydroxypyrrolidin-2-yl]-3-[4-(3-methylthiophen-2-yl)phenyl]propan-1-one;(2S,4R)-4-hydroxy-1-[3-(4-hydroxyphenyl)benzoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[3-(4-hydroxyphenyl)benzoyl]-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(3R)-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(4-methylphenyl)-5-phenylpentan-1-one;1-[(2S,4R)-4-hydroxy-1-(5-methylpyridine-3-carbonyl)pyrrolidin-2-yl]-3-(4-methylphenyl)propan-1-one;(2S,4R)-4-hydroxy-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]-1-(3-phenylbenzoyl)pyrrolidine-2-carboxamide (CID 160632055) is 1-[(2S,4R)-1-(3-amino-2-methylbenzoyl)-4-hydroxypyrrolidin-2-yl]-3-[4-(3-methylthiophen-2-yl)phenyl]propan-1-one;(2S,4R)-4-hydroxy-1-[3-(4-hydroxyphenyl)benzoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[3-(4-hydroxyphenyl)benzoyl]-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(3R)-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(4-methylphenyl)-5-phenylpentan-1-one;1-[(2S,4R)-4-hydroxy-1-(5-methylpyridine-3-carbonyl)pyrrolidin-2-yl]-3-(4-methylphenyl)propan-1-one;(2S,4R)-4-hydroxy-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]-1-(3-phenylbenzoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(2S,4R)-1-(3-amino-2-methylbenzoyl)-4-hydroxypyrrolidin-2-yl]-3-[4-(3-methylthiophen-2-yl)phenyl]propan-1-one;(2S,4R)-4-hydroxy-1-[3-(4-hydroxyphenyl)benzoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[3-(4-hydroxyphenyl)benzoyl]-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(3R)-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(4-methylphenyl)-5-phenylpentan-1-one;1-[(2S,4R)-4-hydroxy-1-(5-methylpyridine-3-carbonyl)pyrrolidin-2-yl]-3-(4-methylphenyl)propan-1-one;(2S,4R)-4-hydroxy-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]-1-(3-phenylbenzoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(2S,4R)-1-(3-amino-2-methylbenzoyl)-4-hydroxypyrrolidin-2-yl]-3-[4-(3-methylthiophen-2-yl)phenyl]propan-1-one;(2S,4R)-4-hydroxy-1-[3-(4-hydroxyphenyl)benzoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[3-(4-hydroxyphenyl)benzoyl]-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(3R)-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(4-methylphenyl)-5-phenylpentan-1-one;1-[(2S,4R)-4-hydroxy-1-(5-methylpyridine-3-carbonyl)pyrrolidin-2-yl]-3-(4-methylphenyl)propan-1-one;(2S,4R)-4-hydroxy-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]-1-(3-phenylbenzoyl)pyrrolidine-2-carboxamide is Cc1ccc(CCC(=O)[C@@H]2C[C@@H](O)CN2C(=O)c2cncc(C)c2)cc1.Cc1ccc([C@H](CCc2ccccc2)CC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2cc(C)no2)cc1.Cc1ccsc1-c1ccc(CCC(=O)[C@@H]2C[C@@H](O)CN2C(=O)c2cccc(N)c2C)cc1.Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)c2cccc(-c3ccc(O)cc3)c2)cc1.O=C(NCc1ccc(-c2cnco2)cc1)[C@@H]1C[C@@H](O)CN1C(=O)c1cccc(-c2ccc(O)cc2)c1.O=C(NCc1ccc(-c2cnco2)cc1)[C@@H]1C[C@@H](O)CN1C(=O)c1cccc(-c2ccccc2)c1.
What is the InChIKey of 1-[(2S,4R)-1-(3-amino-2-methylbenzoyl)-4-hydroxypyrrolidin-2-yl]-3-[4-(3-methylthiophen-2-yl)phenyl]propan-1-one;(2S,4R)-4-hydroxy-1-[3-(4-hydroxyphenyl)benzoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[3-(4-hydroxyphenyl)benzoyl]-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(3R)-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(4-methylphenyl)-5-phenylpentan-1-one;1-[(2S,4R)-4-hydroxy-1-(5-methylpyridine-3-carbonyl)pyrrolidin-2-yl]-3-(4-methylphenyl)propan-1-one;(2S,4R)-4-hydroxy-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]-1-(3-phenylbenzoyl)pyrrolidine-2-carboxamide?
The InChIKey is RIARGLYQJAELKA-TUPACEHCSA-N. The full InChI is InChI=1S/C29H27N3O4S.C28H25N3O5.C28H25N3O4.C28H32N2O4.C26H28N2O3S.C21H24N2O3/c1-18-27(37-17-31-18)21-7-5-19(6-8-21)15-30-28(35)26-14-25(34)16-32(26)29(36)23-4-2-3-22(13-23)20-9-11-24(33)12-10-20;32-23-10-8-19(9-11-23)21-2-1-3-22(12-21)28(35)31-16-24(33)13-25(31)27(34)30-14-18-4-6-20(7-5-18)26-15-29-17-36-26;32-24-14-25(27(33)30-15-19-9-11-21(12-10-19)26-16-29-18-35-26)31(17-24)28(34)23-8-4-7-22(13-23)20-5-2-1-3-6-20;1-19-8-11-22(12-9-19)23(13-10-21-6-4-3-5-7-21)15-27(32)26-16-24(31)18-30(26)28(33)17-25-14-20(2)29-34-25;1-16-12-13-32-25(16)19-9-6-18(7-10-19)8-11-24(30)23-14-20(29)15-28(23)26(31)21-4-3-5-22(27)17(21)2;1-14-3-5-16(6-4-14)7-8-20(25)19-10-18(24)13-23(19)21(26)17-9-15(2)11-22-12-17/h2-13,17,25-26,33-34H,14-16H2,1H3,(H,30,35);1-12,15,17,24-25,32-33H,13-14,16H2,(H,30,34);1-13,16,18,24-25,32H,14-15,17H2,(H,30,33);3-9,11-12,14,23-24,26,31H,10,13,15-18H2,1-2H3;3-7,9-10,12-13,20,23,29H,8,11,14-15,27H2,1-2H3;3-6,9,11-12,18-19,24H,7-8,10,13H2,1-2H3/t25-,26+;2*24-,25+;23-,24-,26+;20-,23+;18-,19+/m111111/s1.
What are the key properties of 1-[(2S,4R)-1-(3-amino-2-methylbenzoyl)-4-hydroxypyrrolidin-2-yl]-3-[4-(3-methylthiophen-2-yl)phenyl]propan-1-one;(2S,4R)-4-hydroxy-1-[3-(4-hydroxyphenyl)benzoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[3-(4-hydroxyphenyl)benzoyl]-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(3R)-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(4-methylphenyl)-5-phenylpentan-1-one;1-[(2S,4R)-4-hydroxy-1-(5-methylpyridine-3-carbonyl)pyrrolidin-2-yl]-3-(4-methylphenyl)propan-1-one;(2S,4R)-4-hydroxy-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]-1-(3-phenylbenzoyl)pyrrolidine-2-carboxamide?
1-[(2S,4R)-1-(3-amino-2-methylbenzoyl)-4-hydroxypyrrolidin-2-yl]-3-[4-(3-methylthiophen-2-yl)phenyl]propan-1-one;(2S,4R)-4-hydroxy-1-[3-(4-hydroxyphenyl)benzoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[3-(4-hydroxyphenyl)benzoyl]-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(3R)-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(4-methylphenyl)-5-phenylpentan-1-one;1-[(2S,4R)-4-hydroxy-1-(5-methylpyridine-3-carbonyl)pyrrolidin-2-yl]-3-(4-methylphenyl)propan-1-one;(2S,4R)-4-hydroxy-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]-1-(3-phenylbenzoyl)pyrrolidine-2-carboxamide has a molecular weight of 2726.26 g/mol, XLogP of 22.93, 38 rotatable bonds, 12 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4R)-1-(3-amino-2-methylbenzoyl)-4-hydroxypyrrolidin-2-yl]-3-[4-(3-methylthiophen-2-yl)phenyl]propan-1-one;(2S,4R)-4-hydroxy-1-[3-(4-hydroxyphenyl)benzoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[3-(4-hydroxyphenyl)benzoyl]-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(3R)-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(4-methylphenyl)-5-phenylpentan-1-one;1-[(2S,4R)-4-hydroxy-1-(5-methylpyridine-3-carbonyl)pyrrolidin-2-yl]-3-(4-methylphenyl)propan-1-one;(2S,4R)-4-hydroxy-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]-1-(3-phenylbenzoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 160632055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).