2-[4-[(3S,4R)-1-methoxycarbonyl-4-[(4-methylsulfanylphenyl)methyl]pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid;methyl (3R,4S)-3-[3,5-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-[(4-methylsulfanylphenyl)methyl]pyrrolidine-1-carboxylate;phenyl (3S,4R)-3-[2,4-dimethyl-3-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-(4-methylsulfanylbenzoyl)pyrrolidine-1-carboxylate;phenyl (3S,4R)-3-[3-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-(4-methylsulfanylbenzoyl)pyrrolidine-1-carboxylate;phenyl (3R,4S)-3-[3-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-(4-methylsulfanylbenzoyl)pyrrolidine-1-carboxylate

C145H165N5O24S5 — CID 160950699

IUPAC2-[4-[(3S,4R)-1-methoxycarbonyl-4-[(4-methylsulfanylphenyl)methyl]pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid;methyl (3R,4S)-3-[3,5-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-[(4-methylsulfanylphenyl)methyl]pyrrolidine-1-carboxylate;phenyl (3S,4R)-3-[2,4-dimethyl-3-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-(4-methylsulfanylbenzoyl)pyrrolidine-1-carboxylate;phenyl (3S,4R)-3-[3-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-(4-methylsulfanylbenzoyl)pyrrolidine-1-carboxylate;phenyl (3R,4S)-3-[3-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-(4-methylsulfanylbenzoyl)pyrrolidine-1-carboxylate
SMILESCOC(=O)N1C[C@@H](Cc2ccc(SC)cc2)[C@H](c2cc(C)c(OC(C)(C)C(C)=O)c(C)c2)C1.COC(=O)N1C[C@H](Cc2ccc(SC)cc2)[C@@H](c2cc(C)c(OC(C)(C)C(=O)O)c(C)c2)C1.CSc1ccc(C(=O)[C@@H]2CN(C(=O)Oc3ccccc3)C[C@H]2c2cccc(OC(C)(C)C(C)=O)c2)cc1.CSc1ccc(C(=O)[C@H]2CN(C(=O)Oc3ccccc3)C[C@@H]2c2ccc(C)c(OC(C)(C)C(C)=O)c2C)cc1.CSc1ccc(C(=O)[C@H]2CN(C(=O)Oc3ccccc3)C[C@@H]2c2cccc(OC(C)(C)C(C)=O)c2)cc1
InChIInChI=1S/C32H35NO5S.2C30H31NO5S.C27H35NO4S.C26H33NO5S/c1-20-12-17-26(21(2)30(20)38-32(4,5)22(3)34)27-18-33(31(36)37-24-10-8-7-9-11-24)19-28(27)29(35)23-13-15-25(39-6)16-14-23;2*1-20(32)30(2,3)36-24-12-8-9-22(17-24)26-18-31(29(34)35-23-10-6-5-7-11-23)19-27(26)28(33)21-13-15-25(37-4)16-14-21;1-17-12-21(13-18(2)25(17)32-27(4,5)19(3)29)24-16-28(26(30)31-6)15-22(24)14-20-8-10-23(33-7)11-9-20;1-16-11-19(12-17(2)23(16)32-26(3,4)24(28)29)22-15-27(25(30)31-5)14-20(22)13-18-7-9-21(33-6)10-8-18/h7-17,27-28H,18-19H2,1-6H3;2*5-17,26-27H,18-19H2,1-4H3;8-13,22,24H,14-16H2,1-7H3;7-12,20,22H,13-15H2,1-6H3,(H,28,29)/t27-,28+;2*26-,27+;22-,24+;20-,22+/m11010/s1
InChIKeySVSHVINVSMNZNM-YZUNAESOSA-N
MW2522.26 g/mol
LogP30.46
Rot. Bonds38

About 2-[4-[(3S,4R)-1-methoxycarbonyl-4-[(4-methylsulfanylphenyl)methyl]pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid;methyl (3R,4S)-3-[3,5-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-[(4-methylsulfanylphenyl)methyl]pyrrolidine-1-carboxylate;phenyl (3S,4R)-3-[2,4-dimethyl-3-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-(4-methylsulfanylbenzoyl)pyrrolidine-1-carboxylate;phenyl (3S,4R)-3-[3-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-(4-methylsulfanylbenzoyl)pyrrolidine-1-carboxylate;phenyl (3R,4S)-3-[3-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-(4-methylsulfanylbenzoyl)pyrrolidine-1-carboxylate

2-[4-[(3S,4R)-1-methoxycarbonyl-4-[(4-methylsulfanylphenyl)methyl]pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid;methyl (3R,4S)-3-[3,5-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-[(4-methylsulfanylphenyl)methyl]pyrrolidine-1-carboxylate;phenyl (3S,4R)-3-[2,4-dimethyl-3-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-(4-methylsulfanylbenzoyl)pyrrolidine-1-carboxylate;phenyl (3S,4R)-3-[3-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-(4-methylsulfanylbenzoyl)pyrrolidine-1-carboxylate;phenyl (3R,4S)-3-[3-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-(4-methylsulfanylbenzoyl)pyrrolidine-1-carboxylate (PubChem CID 160950699) has the molecular formula C145H165N5O24S5 and a molecular weight of 2522.26 g/mol. Its IUPAC name is 2-[4-[(3S,4R)-1-methoxycarbonyl-4-[(4-methylsulfanylphenyl)methyl]pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid;methyl (3R,4S)-3-[3,5-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-[(4-methylsulfanylphenyl)methyl]pyrrolidine-1-carboxylate;phenyl (3S,4R)-3-[2,4-dimethyl-3-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-(4-methylsulfanylbenzoyl)pyrrolidine-1-carboxylate;phenyl (3S,4R)-3-[3-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-(4-methylsulfanylbenzoyl)pyrrolidine-1-carboxylate;phenyl (3R,4S)-3-[3-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-(4-methylsulfanylbenzoyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name2-[4-[(3S,4R)-1-methoxycarbonyl-4-[(4-methylsulfanylphenyl)methyl]pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid;methyl (3R,4S)-3-[3,5-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-[(4-methylsulfanylphenyl)methyl]pyrrolidine-1-carboxylate;phenyl (3S,4R)-3-[2,4-dimethyl-3-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-(4-methylsulfanylbenzoyl)pyrrolidine-1-carboxylate;phenyl (3S,4R)-3-[3-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-(4-methylsulfanylbenzoyl)pyrrolidine-1-carboxylate;phenyl (3R,4S)-3-[3-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-(4-methylsulfanylbenzoyl)pyrrolidine-1-carboxylate
PubChem CID160950699
Molecular FormulaC145H165N5O24S5
Molecular Weight2522.26 g/mol
Exact Mass2520.04
IUPAC Name2-[4-[(3S,4R)-1-methoxycarbonyl-4-[(4-methylsulfanylphenyl)methyl]pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid;methyl (3R,4S)-3-[3,5-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-[(4-methylsulfanylphenyl)methyl]pyrrolidine-1-carboxylate;phenyl (3S,4R)-3-[2,4-dimethyl-3-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-(4-methylsulfanylbenzoyl)pyrrolidine-1-carboxylate;phenyl (3S,4R)-3-[3-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-(4-methylsulfanylbenzoyl)pyrrolidine-1-carboxylate;phenyl (3R,4S)-3-[3-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-(4-methylsulfanylbenzoyl)pyrrolidine-1-carboxylate
SMILESCOC(=O)N1C[C@@H](Cc2ccc(SC)cc2)[C@H](c2cc(C)c(OC(C)(C)C(C)=O)c(C)c2)C1.COC(=O)N1C[C@H](Cc2ccc(SC)cc2)[C@@H](c2cc(C)c(OC(C)(C)C(=O)O)c(C)c2)C1.CSc1ccc(C(=O)[C@@H]2CN(C(=O)Oc3ccccc3)C[C@H]2c2cccc(OC(C)(C)C(C)=O)c2)cc1.CSc1ccc(C(=O)[C@H]2CN(C(=O)Oc3ccccc3)C[C@@H]2c2ccc(C)c(OC(C)(C)C(C)=O)c2C)cc1.CSc1ccc(C(=O)[C@H]2CN(C(=O)Oc3ccccc3)C[C@@H]2c2cccc(OC(C)(C)C(C)=O)c2)cc1
InChIInChI=1S/C32H35NO5S.2C30H31NO5S.C27H35NO4S.C26H33NO5S/c1-20-12-17-26(21(2)30(20)38-32(4,5)22(3)34)27-18-33(31(36)37-24-10-8-7-9-11-24)19-28(27)29(35)23-13-15-25(39-6)16-14-23;2*1-20(32)30(2,3)36-24-12-8-9-22(17-24)26-18-31(29(34)35-23-10-6-5-7-11-23)19-27(26)28(33)21-13-15-25(37-4)16-14-21;1-17-12-21(13-18(2)25(17)32-27(4,5)19(3)29)24-16-28(26(30)31-6)15-22(24)14-20-8-10-23(33-7)11-9-20;1-16-11-19(12-17(2)23(16)32-26(3,4)24(28)29)22-15-27(25(30)31-5)14-20(22)13-18-7-9-21(33-6)10-8-18/h7-17,27-28H,18-19H2,1-6H3;2*5-17,26-27H,18-19H2,1-4H3;8-13,22,24H,14-16H2,1-7H3;7-12,20,22H,13-15H2,1-6H3,(H,28,29)/t27-,28+;2*26-,27+;22-,24+;20-,22+/m11010/s1
InChIKeySVSHVINVSMNZNM-YZUNAESOSA-N
XLogP30.46
TPSA350.64 Ų
H-Bond Donors1
H-Bond Acceptors28
Rotatable Bonds38
Heavy Atoms179
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002522.26
LogP ≤ 530.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1028

Analyze 2-[4-[(3S,4R)-1-methoxycarbonyl-4-[(4-methylsulfanylphenyl)methyl]pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid;methyl (3R,4S)-3-[3,5-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-[(4-methylsulfanylphenyl)methyl]pyrrolidine-1-carboxylate;phenyl (3S,4R)-3-[2,4-dimethyl-3-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-(4-methylsulfanylbenzoyl)pyrrolidine-1-carboxylate;phenyl (3S,4R)-3-[3-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-(4-methylsulfanylbenzoyl)pyrrolidine-1-carboxylate;phenyl (3R,4S)-3-[3-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-(4-methylsulfanylbenzoyl)pyrrolidine-1-carboxylate with MolForge

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Related Compounds

2-[2,6-dimethyl-4-[4-(4-methylsulfanylbenzoyl)-1-phenylmethoxycarbonylpyrrolidin-3-yl]phenoxy]-2-methylpropanoic acid;2-[4-[1-methoxycarbonyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid
CID 145439963
2-[4-[(3S)-1-(3-chlorophenoxy)carbonyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid
CID 145439932
2-[2,6-dimethyl-4-[(3R)-1-(4-methylphenoxy)carbonyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]phenoxy]-2-methylpropanoic acid
CID 146605663
2-[4-[(3R,4S)-1-(4-chlorophenoxy)carbonyl-4-[(4-methylsulfanylphenyl)methyl]pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid
CID 139338972
2-[4-[(3S,4R)-1-(4-fluorophenoxy)carbonyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid
CID 139338975
2-methyl-2-[4-[[(3S,4S)-4-(4-methylsulfanylbenzoyl)-1-phenoxycarbonylpyrrolidin-3-yl]methyl]phenoxy]propanoic acid
CID 139338993
phenyl (3R,4R)-3-[[3-methyl-4-(2-methyl-3-oxobutan-2-yl)oxyphenyl]methyl]-4-(4-methylsulfanylbenzoyl)pyrrolidine-1-carboxylate
CID 159452406
phenyl (3R,4R)-3-[2-[3,5-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxyphenyl]ethyl]-4-(4-methylsulfanylbenzoyl)pyrrolidine-1-carboxylate
CID 162250041
2-[4-[(4S)-1-(3,4-dichlorophenoxy)carbonyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid
CID 139339021
2-[2,6-dimethyl-4-[(3S,4R)-4-(4-methylsulfanylbenzoyl)-1-(4-propan-2-ylphenoxy)carbonylpyrrolidin-3-yl]phenoxy]-2-methylpropanoic acid
CID 139339328
2-[4-[(3S,4R)-1-ethoxycarbonyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid
CID 139338999
methyl (3S)-3-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxy-3,5-dimethylphenyl]-4-[(4-methylsulfanylphenyl)methyl]pyrrolidine-1-carboxylate
CID 146605837

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3S,4R)-1-methoxycarbonyl-4-[(4-methylsulfanylphenyl)methyl]pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid;methyl (3R,4S)-3-[3,5-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-[(4-methylsulfanylphenyl)methyl]pyrrolidine-1-carboxylate;phenyl (3S,4R)-3-[2,4-dimethyl-3-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-(4-methylsulfanylbenzoyl)pyrrolidine-1-carboxylate;phenyl (3S,4R)-3-[3-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-(4-methylsulfanylbenzoyl)pyrrolidine-1-carboxylate;phenyl (3R,4S)-3-[3-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-(4-methylsulfanylbenzoyl)pyrrolidine-1-carboxylate?
The IUPAC name of 2-[4-[(3S,4R)-1-methoxycarbonyl-4-[(4-methylsulfanylphenyl)methyl]pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid;methyl (3R,4S)-3-[3,5-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-[(4-methylsulfanylphenyl)methyl]pyrrolidine-1-carboxylate;phenyl (3S,4R)-3-[2,4-dimethyl-3-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-(4-methylsulfanylbenzoyl)pyrrolidine-1-carboxylate;phenyl (3S,4R)-3-[3-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-(4-methylsulfanylbenzoyl)pyrrolidine-1-carboxylate;phenyl (3R,4S)-3-[3-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-(4-methylsulfanylbenzoyl)pyrrolidine-1-carboxylate (CID 160950699) is 2-[4-[(3S,4R)-1-methoxycarbonyl-4-[(4-methylsulfanylphenyl)methyl]pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid;methyl (3R,4S)-3-[3,5-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-[(4-methylsulfanylphenyl)methyl]pyrrolidine-1-carboxylate;phenyl (3S,4R)-3-[2,4-dimethyl-3-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-(4-methylsulfanylbenzoyl)pyrrolidine-1-carboxylate;phenyl (3S,4R)-3-[3-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-(4-methylsulfanylbenzoyl)pyrrolidine-1-carboxylate;phenyl (3R,4S)-3-[3-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-(4-methylsulfanylbenzoyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for 2-[4-[(3S,4R)-1-methoxycarbonyl-4-[(4-methylsulfanylphenyl)methyl]pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid;methyl (3R,4S)-3-[3,5-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-[(4-methylsulfanylphenyl)methyl]pyrrolidine-1-carboxylate;phenyl (3S,4R)-3-[2,4-dimethyl-3-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-(4-methylsulfanylbenzoyl)pyrrolidine-1-carboxylate;phenyl (3S,4R)-3-[3-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-(4-methylsulfanylbenzoyl)pyrrolidine-1-carboxylate;phenyl (3R,4S)-3-[3-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-(4-methylsulfanylbenzoyl)pyrrolidine-1-carboxylate?
The canonical SMILES for 2-[4-[(3S,4R)-1-methoxycarbonyl-4-[(4-methylsulfanylphenyl)methyl]pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid;methyl (3R,4S)-3-[3,5-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-[(4-methylsulfanylphenyl)methyl]pyrrolidine-1-carboxylate;phenyl (3S,4R)-3-[2,4-dimethyl-3-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-(4-methylsulfanylbenzoyl)pyrrolidine-1-carboxylate;phenyl (3S,4R)-3-[3-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-(4-methylsulfanylbenzoyl)pyrrolidine-1-carboxylate;phenyl (3R,4S)-3-[3-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-(4-methylsulfanylbenzoyl)pyrrolidine-1-carboxylate is COC(=O)N1C[C@@H](Cc2ccc(SC)cc2)[C@H](c2cc(C)c(OC(C)(C)C(C)=O)c(C)c2)C1.COC(=O)N1C[C@H](Cc2ccc(SC)cc2)[C@@H](c2cc(C)c(OC(C)(C)C(=O)O)c(C)c2)C1.CSc1ccc(C(=O)[C@@H]2CN(C(=O)Oc3ccccc3)C[C@H]2c2cccc(OC(C)(C)C(C)=O)c2)cc1.CSc1ccc(C(=O)[C@H]2CN(C(=O)Oc3ccccc3)C[C@@H]2c2ccc(C)c(OC(C)(C)C(C)=O)c2C)cc1.CSc1ccc(C(=O)[C@H]2CN(C(=O)Oc3ccccc3)C[C@@H]2c2cccc(OC(C)(C)C(C)=O)c2)cc1.
What is the InChIKey of 2-[4-[(3S,4R)-1-methoxycarbonyl-4-[(4-methylsulfanylphenyl)methyl]pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid;methyl (3R,4S)-3-[3,5-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-[(4-methylsulfanylphenyl)methyl]pyrrolidine-1-carboxylate;phenyl (3S,4R)-3-[2,4-dimethyl-3-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-(4-methylsulfanylbenzoyl)pyrrolidine-1-carboxylate;phenyl (3S,4R)-3-[3-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-(4-methylsulfanylbenzoyl)pyrrolidine-1-carboxylate;phenyl (3R,4S)-3-[3-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-(4-methylsulfanylbenzoyl)pyrrolidine-1-carboxylate?
The InChIKey is SVSHVINVSMNZNM-YZUNAESOSA-N. The full InChI is InChI=1S/C32H35NO5S.2C30H31NO5S.C27H35NO4S.C26H33NO5S/c1-20-12-17-26(21(2)30(20)38-32(4,5)22(3)34)27-18-33(31(36)37-24-10-8-7-9-11-24)19-28(27)29(35)23-13-15-25(39-6)16-14-23;2*1-20(32)30(2,3)36-24-12-8-9-22(17-24)26-18-31(29(34)35-23-10-6-5-7-11-23)19-27(26)28(33)21-13-15-25(37-4)16-14-21;1-17-12-21(13-18(2)25(17)32-27(4,5)19(3)29)24-16-28(26(30)31-6)15-22(24)14-20-8-10-23(33-7)11-9-20;1-16-11-19(12-17(2)23(16)32-26(3,4)24(28)29)22-15-27(25(30)31-5)14-20(22)13-18-7-9-21(33-6)10-8-18/h7-17,27-28H,18-19H2,1-6H3;2*5-17,26-27H,18-19H2,1-4H3;8-13,22,24H,14-16H2,1-7H3;7-12,20,22H,13-15H2,1-6H3,(H,28,29)/t27-,28+;2*26-,27+;22-,24+;20-,22+/m11010/s1.
What are the key properties of 2-[4-[(3S,4R)-1-methoxycarbonyl-4-[(4-methylsulfanylphenyl)methyl]pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid;methyl (3R,4S)-3-[3,5-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-[(4-methylsulfanylphenyl)methyl]pyrrolidine-1-carboxylate;phenyl (3S,4R)-3-[2,4-dimethyl-3-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-(4-methylsulfanylbenzoyl)pyrrolidine-1-carboxylate;phenyl (3S,4R)-3-[3-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-(4-methylsulfanylbenzoyl)pyrrolidine-1-carboxylate;phenyl (3R,4S)-3-[3-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-(4-methylsulfanylbenzoyl)pyrrolidine-1-carboxylate?
2-[4-[(3S,4R)-1-methoxycarbonyl-4-[(4-methylsulfanylphenyl)methyl]pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid;methyl (3R,4S)-3-[3,5-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-[(4-methylsulfanylphenyl)methyl]pyrrolidine-1-carboxylate;phenyl (3S,4R)-3-[2,4-dimethyl-3-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-(4-methylsulfanylbenzoyl)pyrrolidine-1-carboxylate;phenyl (3S,4R)-3-[3-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-(4-methylsulfanylbenzoyl)pyrrolidine-1-carboxylate;phenyl (3R,4S)-3-[3-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-(4-methylsulfanylbenzoyl)pyrrolidine-1-carboxylate has a molecular weight of 2522.26 g/mol, XLogP of 30.46, 38 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3S,4R)-1-methoxycarbonyl-4-[(4-methylsulfanylphenyl)methyl]pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid;methyl (3R,4S)-3-[3,5-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-[(4-methylsulfanylphenyl)methyl]pyrrolidine-1-carboxylate;phenyl (3S,4R)-3-[2,4-dimethyl-3-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-(4-methylsulfanylbenzoyl)pyrrolidine-1-carboxylate;phenyl (3S,4R)-3-[3-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-(4-methylsulfanylbenzoyl)pyrrolidine-1-carboxylate;phenyl (3R,4S)-3-[3-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-4-(4-methylsulfanylbenzoyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 160950699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).