3-(4-acetylphenyl)-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;(2S,4R)-1-(2-chloropyridine-4-carbonyl)-4-hydroxy-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide;cyclopropylmethyl 4-[3-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-oxopropyl]benzoate;1-[4-[3-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-oxopropyl]phenyl]-3-methylbutan-1-one;1-[4-[3-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-oxopropyl]phenyl]-2-methylpropan-1-one;(2S,4R)-4-hydroxy-N-[(4-methylphenyl)methyl]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[(4-methylphenyl)methyl]-1-(pyridine-4-carbonyl)pyrrolidine-2-carboxamide

C149H172ClN17O30 — CID 161072319

IUPAC3-(4-acetylphenyl)-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;(2S,4R)-1-(2-chloropyridine-4-carbonyl)-4-hydroxy-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide;cyclopropylmethyl 4-[3-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-oxopropyl]benzoate;1-[4-[3-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-oxopropyl]phenyl]-3-methylbutan-1-one;1-[4-[3-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-oxopropyl]phenyl]-2-methylpropan-1-one;(2S,4R)-4-hydroxy-N-[(4-methylphenyl)methyl]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[(4-methylphenyl)methyl]-1-(pyridine-4-carbonyl)pyrrolidine-2-carboxamide
SMILESCC(=O)c1ccc(CCC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2cc(C)no2)cc1.Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(C(=O)C(C)C)cc2)on1.Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(C(=O)CC(C)C)cc2)on1.Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(C(=O)OCC3CC3)cc2)on1.Cc1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)c2cccnc2)cc1.Cc1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)c2ccnc(Cl)c2)cc1.Cc1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)c2ccncc2)cc1
InChIInChI=1S/C24H28N2O6.C24H30N2O5.C23H28N2O5.C21H24N2O5.C19H20ClN3O3.2C19H21N3O3/c1-15-10-20(32-25-15)12-23(29)26-13-19(27)11-21(26)22(28)9-6-16-4-7-18(8-5-16)24(30)31-14-17-2-3-17;1-15(2)10-23(29)18-7-4-17(5-8-18)6-9-22(28)21-12-19(27)14-26(21)24(30)13-20-11-16(3)25-31-20;1-14(2)23(29)17-7-4-16(5-8-17)6-9-21(27)20-11-18(26)13-25(20)22(28)12-19-10-15(3)24-30-19;1-13-9-18(28-22-13)11-21(27)23-12-17(25)10-19(23)20(26)8-5-15-3-6-16(7-4-15)14(2)24;1-12-2-4-13(5-3-12)10-22-18(25)16-9-15(24)11-23(16)19(26)14-6-7-21-17(20)8-14;1-13-2-4-14(5-3-13)11-21-18(24)17-10-16(23)12-22(17)19(25)15-6-8-20-9-7-15;1-13-4-6-14(7-5-13)10-21-18(24)17-9-16(23)12-22(17)19(25)15-3-2-8-20-11-15/h4-5,7-8,10,17,19,21,27H,2-3,6,9,11-14H2,1H3;4-5,7-8,11,15,19,21,27H,6,9-10,12-14H2,1-3H3;4-5,7-8,10,14,18,20,26H,6,9,11-13H2,1-3H3;3-4,6-7,9,17,19,25H,5,8,10-12H2,1-2H3;2-8,15-16,24H,9-11H2,1H3,(H,22,25);2-9,16-17,23H,10-12H2,1H3,(H,21,24);2-8,11,16-17,23H,9-10,12H2,1H3,(H,21,24)/t2*19-,21+;18-,20+;17-,19+;15-,16+;2*16-,17+/m1111111/s1
InChIKeyUEUZELXVOZAKEU-JTHVVGAFSA-N
MW2716.56 g/mol
LogP14.09
Rot. Bonds45

About 3-(4-acetylphenyl)-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;(2S,4R)-1-(2-chloropyridine-4-carbonyl)-4-hydroxy-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide;cyclopropylmethyl 4-[3-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-oxopropyl]benzoate;1-[4-[3-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-oxopropyl]phenyl]-3-methylbutan-1-one;1-[4-[3-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-oxopropyl]phenyl]-2-methylpropan-1-one;(2S,4R)-4-hydroxy-N-[(4-methylphenyl)methyl]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[(4-methylphenyl)methyl]-1-(pyridine-4-carbonyl)pyrrolidine-2-carboxamide

3-(4-acetylphenyl)-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;(2S,4R)-1-(2-chloropyridine-4-carbonyl)-4-hydroxy-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide;cyclopropylmethyl 4-[3-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-oxopropyl]benzoate;1-[4-[3-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-oxopropyl]phenyl]-3-methylbutan-1-one;1-[4-[3-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-oxopropyl]phenyl]-2-methylpropan-1-one;(2S,4R)-4-hydroxy-N-[(4-methylphenyl)methyl]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[(4-methylphenyl)methyl]-1-(pyridine-4-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 161072319) has the molecular formula C149H172ClN17O30 and a molecular weight of 2716.56 g/mol. Its IUPAC name is 3-(4-acetylphenyl)-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;(2S,4R)-1-(2-chloropyridine-4-carbonyl)-4-hydroxy-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide;cyclopropylmethyl 4-[3-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-oxopropyl]benzoate;1-[4-[3-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-oxopropyl]phenyl]-3-methylbutan-1-one;1-[4-[3-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-oxopropyl]phenyl]-2-methylpropan-1-one;(2S,4R)-4-hydroxy-N-[(4-methylphenyl)methyl]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[(4-methylphenyl)methyl]-1-(pyridine-4-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name3-(4-acetylphenyl)-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;(2S,4R)-1-(2-chloropyridine-4-carbonyl)-4-hydroxy-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide;cyclopropylmethyl 4-[3-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-oxopropyl]benzoate;1-[4-[3-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-oxopropyl]phenyl]-3-methylbutan-1-one;1-[4-[3-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-oxopropyl]phenyl]-2-methylpropan-1-one;(2S,4R)-4-hydroxy-N-[(4-methylphenyl)methyl]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[(4-methylphenyl)methyl]-1-(pyridine-4-carbonyl)pyrrolidine-2-carboxamide
PubChem CID161072319
Molecular FormulaC149H172ClN17O30
Molecular Weight2716.56 g/mol
Exact Mass2714.21
IUPAC Name3-(4-acetylphenyl)-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;(2S,4R)-1-(2-chloropyridine-4-carbonyl)-4-hydroxy-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide;cyclopropylmethyl 4-[3-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-oxopropyl]benzoate;1-[4-[3-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-oxopropyl]phenyl]-3-methylbutan-1-one;1-[4-[3-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-oxopropyl]phenyl]-2-methylpropan-1-one;(2S,4R)-4-hydroxy-N-[(4-methylphenyl)methyl]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[(4-methylphenyl)methyl]-1-(pyridine-4-carbonyl)pyrrolidine-2-carboxamide
SMILESCC(=O)c1ccc(CCC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2cc(C)no2)cc1.Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(C(=O)C(C)C)cc2)on1.Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(C(=O)CC(C)C)cc2)on1.Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(C(=O)OCC3CC3)cc2)on1.Cc1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)c2cccnc2)cc1.Cc1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)c2ccnc(Cl)c2)cc1.Cc1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)c2ccncc2)cc1
InChIInChI=1S/C24H28N2O6.C24H30N2O5.C23H28N2O5.C21H24N2O5.C19H20ClN3O3.2C19H21N3O3/c1-15-10-20(32-25-15)12-23(29)26-13-19(27)11-21(26)22(28)9-6-16-4-7-18(8-5-16)24(30)31-14-17-2-3-17;1-15(2)10-23(29)18-7-4-17(5-8-18)6-9-22(28)21-12-19(27)14-26(21)24(30)13-20-11-16(3)25-31-20;1-14(2)23(29)17-7-4-16(5-8-17)6-9-21(27)20-11-18(26)13-25(20)22(28)12-19-10-15(3)24-30-19;1-13-9-18(28-22-13)11-21(27)23-12-17(25)10-19(23)20(26)8-5-15-3-6-16(7-4-15)14(2)24;1-12-2-4-13(5-3-12)10-22-18(25)16-9-15(24)11-23(16)19(26)14-6-7-21-17(20)8-14;1-13-2-4-14(5-3-13)11-21-18(24)17-10-16(23)12-22(17)19(25)15-6-8-20-9-7-15;1-13-4-6-14(7-5-13)10-21-18(24)17-9-16(23)12-22(17)19(25)15-3-2-8-20-11-15/h4-5,7-8,10,17,19,21,27H,2-3,6,9,11-14H2,1H3;4-5,7-8,11,15,19,21,27H,6,9-10,12-14H2,1-3H3;4-5,7-8,10,14,18,20,26H,6,9,11-13H2,1-3H3;3-4,6-7,9,17,19,25H,5,8,10-12H2,1-2H3;2-8,15-16,24H,9-11H2,1H3,(H,22,25);2-9,16-17,23H,10-12H2,1H3,(H,21,24);2-8,11,16-17,23H,9-10,12H2,1H3,(H,21,24)/t2*19-,21+;18-,20+;17-,19+;15-,16+;2*16-,17+/m1111111/s1
InChIKeyUEUZELXVOZAKEU-JTHVVGAFSA-N
XLogP14.09
TPSA659.66 Ų
H-Bond Donors10
H-Bond Acceptors37
Rotatable Bonds45
Heavy Atoms197
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002716.56
LogP ≤ 514.09
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-(4-acetylphenyl)-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;(2S,4R)-1-(2-chloropyridine-4-carbonyl)-4-hydroxy-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide;cyclopropylmethyl 4-[3-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-oxopropyl]benzoate;1-[4-[3-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-oxopropyl]phenyl]-3-methylbutan-1-one;1-[4-[3-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-oxopropyl]phenyl]-2-methylpropan-1-one;(2S,4R)-4-hydroxy-N-[(4-methylphenyl)methyl]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[(4-methylphenyl)methyl]-1-(pyridine-4-carbonyl)pyrrolidine-2-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylphenyl)-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;(2S,4R)-1-(2-chloropyridine-4-carbonyl)-4-hydroxy-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide;cyclopropylmethyl 4-[3-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-oxopropyl]benzoate;1-[4-[3-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-oxopropyl]phenyl]-3-methylbutan-1-one;1-[4-[3-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-oxopropyl]phenyl]-2-methylpropan-1-one;(2S,4R)-4-hydroxy-N-[(4-methylphenyl)methyl]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[(4-methylphenyl)methyl]-1-(pyridine-4-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of 3-(4-acetylphenyl)-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;(2S,4R)-1-(2-chloropyridine-4-carbonyl)-4-hydroxy-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide;cyclopropylmethyl 4-[3-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-oxopropyl]benzoate;1-[4-[3-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-oxopropyl]phenyl]-3-methylbutan-1-one;1-[4-[3-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-oxopropyl]phenyl]-2-methylpropan-1-one;(2S,4R)-4-hydroxy-N-[(4-methylphenyl)methyl]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[(4-methylphenyl)methyl]-1-(pyridine-4-carbonyl)pyrrolidine-2-carboxamide (CID 161072319) is 3-(4-acetylphenyl)-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;(2S,4R)-1-(2-chloropyridine-4-carbonyl)-4-hydroxy-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide;cyclopropylmethyl 4-[3-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-oxopropyl]benzoate;1-[4-[3-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-oxopropyl]phenyl]-3-methylbutan-1-one;1-[4-[3-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-oxopropyl]phenyl]-2-methylpropan-1-one;(2S,4R)-4-hydroxy-N-[(4-methylphenyl)methyl]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[(4-methylphenyl)methyl]-1-(pyridine-4-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 3-(4-acetylphenyl)-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;(2S,4R)-1-(2-chloropyridine-4-carbonyl)-4-hydroxy-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide;cyclopropylmethyl 4-[3-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-oxopropyl]benzoate;1-[4-[3-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-oxopropyl]phenyl]-3-methylbutan-1-one;1-[4-[3-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-oxopropyl]phenyl]-2-methylpropan-1-one;(2S,4R)-4-hydroxy-N-[(4-methylphenyl)methyl]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[(4-methylphenyl)methyl]-1-(pyridine-4-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 3-(4-acetylphenyl)-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;(2S,4R)-1-(2-chloropyridine-4-carbonyl)-4-hydroxy-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide;cyclopropylmethyl 4-[3-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-oxopropyl]benzoate;1-[4-[3-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-oxopropyl]phenyl]-3-methylbutan-1-one;1-[4-[3-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-oxopropyl]phenyl]-2-methylpropan-1-one;(2S,4R)-4-hydroxy-N-[(4-methylphenyl)methyl]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[(4-methylphenyl)methyl]-1-(pyridine-4-carbonyl)pyrrolidine-2-carboxamide is CC(=O)c1ccc(CCC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2cc(C)no2)cc1.Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(C(=O)C(C)C)cc2)on1.Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(C(=O)CC(C)C)cc2)on1.Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(C(=O)OCC3CC3)cc2)on1.Cc1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)c2cccnc2)cc1.Cc1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)c2ccnc(Cl)c2)cc1.Cc1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)c2ccncc2)cc1.
What is the InChIKey of 3-(4-acetylphenyl)-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;(2S,4R)-1-(2-chloropyridine-4-carbonyl)-4-hydroxy-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide;cyclopropylmethyl 4-[3-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-oxopropyl]benzoate;1-[4-[3-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-oxopropyl]phenyl]-3-methylbutan-1-one;1-[4-[3-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-oxopropyl]phenyl]-2-methylpropan-1-one;(2S,4R)-4-hydroxy-N-[(4-methylphenyl)methyl]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[(4-methylphenyl)methyl]-1-(pyridine-4-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is UEUZELXVOZAKEU-JTHVVGAFSA-N. The full InChI is InChI=1S/C24H28N2O6.C24H30N2O5.C23H28N2O5.C21H24N2O5.C19H20ClN3O3.2C19H21N3O3/c1-15-10-20(32-25-15)12-23(29)26-13-19(27)11-21(26)22(28)9-6-16-4-7-18(8-5-16)24(30)31-14-17-2-3-17;1-15(2)10-23(29)18-7-4-17(5-8-18)6-9-22(28)21-12-19(27)14-26(21)24(30)13-20-11-16(3)25-31-20;1-14(2)23(29)17-7-4-16(5-8-17)6-9-21(27)20-11-18(26)13-25(20)22(28)12-19-10-15(3)24-30-19;1-13-9-18(28-22-13)11-21(27)23-12-17(25)10-19(23)20(26)8-5-15-3-6-16(7-4-15)14(2)24;1-12-2-4-13(5-3-12)10-22-18(25)16-9-15(24)11-23(16)19(26)14-6-7-21-17(20)8-14;1-13-2-4-14(5-3-13)11-21-18(24)17-10-16(23)12-22(17)19(25)15-6-8-20-9-7-15;1-13-4-6-14(7-5-13)10-21-18(24)17-9-16(23)12-22(17)19(25)15-3-2-8-20-11-15/h4-5,7-8,10,17,19,21,27H,2-3,6,9,11-14H2,1H3;4-5,7-8,11,15,19,21,27H,6,9-10,12-14H2,1-3H3;4-5,7-8,10,14,18,20,26H,6,9,11-13H2,1-3H3;3-4,6-7,9,17,19,25H,5,8,10-12H2,1-2H3;2-8,15-16,24H,9-11H2,1H3,(H,22,25);2-9,16-17,23H,10-12H2,1H3,(H,21,24);2-8,11,16-17,23H,9-10,12H2,1H3,(H,21,24)/t2*19-,21+;18-,20+;17-,19+;15-,16+;2*16-,17+/m1111111/s1.
What are the key properties of 3-(4-acetylphenyl)-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;(2S,4R)-1-(2-chloropyridine-4-carbonyl)-4-hydroxy-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide;cyclopropylmethyl 4-[3-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-oxopropyl]benzoate;1-[4-[3-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-oxopropyl]phenyl]-3-methylbutan-1-one;1-[4-[3-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-oxopropyl]phenyl]-2-methylpropan-1-one;(2S,4R)-4-hydroxy-N-[(4-methylphenyl)methyl]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[(4-methylphenyl)methyl]-1-(pyridine-4-carbonyl)pyrrolidine-2-carboxamide?
3-(4-acetylphenyl)-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;(2S,4R)-1-(2-chloropyridine-4-carbonyl)-4-hydroxy-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide;cyclopropylmethyl 4-[3-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-oxopropyl]benzoate;1-[4-[3-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-oxopropyl]phenyl]-3-methylbutan-1-one;1-[4-[3-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-oxopropyl]phenyl]-2-methylpropan-1-one;(2S,4R)-4-hydroxy-N-[(4-methylphenyl)methyl]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[(4-methylphenyl)methyl]-1-(pyridine-4-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 2716.56 g/mol, XLogP of 14.09, 45 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylphenyl)-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;(2S,4R)-1-(2-chloropyridine-4-carbonyl)-4-hydroxy-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide;cyclopropylmethyl 4-[3-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-oxopropyl]benzoate;1-[4-[3-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-oxopropyl]phenyl]-3-methylbutan-1-one;1-[4-[3-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-oxopropyl]phenyl]-2-methylpropan-1-one;(2S,4R)-4-hydroxy-N-[(4-methylphenyl)methyl]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[(4-methylphenyl)methyl]-1-(pyridine-4-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 161072319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).