2-[1-[(2S,4S)-4-hydroxy-4-(hydroxymethyl)-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-methyl-2-(3-methyl-1,2-oxazol-5-yl)propan-1-one;(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)propan-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-oxopentan-2-yl]acetamide

C129H151N15O21S5 — CID 161057093

IUPAC2-[1-[(2S,4S)-4-hydroxy-4-(hydroxymethyl)-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-methyl-2-(3-methyl-1,2-oxazol-5-yl)propan-1-one;(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)propan-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-oxopentan-2-yl]acetamide
SMILESCCC[C@H](NC(C)=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)CCc1ccc(-c2scnc2C)cc1.CC[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)CCc1ccc(-c2scnc2C)cc1)c1cc(C)no1.Cc1cc(C(C)(C)C(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(-c3scnc3C)cc2)on1.Cc1cc([C@H](C)C(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(-c3scnc3C)cc2)on1.Cc1ncsc1-c1ccc(CCC(=O)[C@@H]2C[C@@](O)(CO)CN2C(=O)C(C(C)C)N2Cc3ccccc3C2=O)cc1
InChIInChI=1S/C31H35N3O5S.2C25H29N3O4S.C24H27N3O4S.C24H31N3O4S/c1-19(2)27(33-15-23-6-4-5-7-24(23)29(33)37)30(38)34-16-31(39,17-35)14-25(34)26(36)13-10-21-8-11-22(12-9-21)28-20(3)32-18-40-28;1-15-11-22(32-27-15)25(3,4)24(31)28-13-19(29)12-20(28)21(30)10-7-17-5-8-18(9-6-17)23-16(2)26-14-33-23;1-4-20(23-11-15(2)27-32-23)25(31)28-13-19(29)12-21(28)22(30)10-7-17-5-8-18(9-6-17)24-16(3)26-14-33-24;1-14-10-22(31-26-14)15(2)24(30)27-12-19(28)11-20(27)21(29)9-6-17-4-7-18(8-5-17)23-16(3)25-13-32-23;1-4-5-20(26-16(3)28)24(31)27-13-19(29)12-21(27)22(30)11-8-17-6-9-18(10-7-17)23-15(2)25-14-32-23/h4-9,11-12,18-19,25,27,35,39H,10,13-17H2,1-3H3;5-6,8-9,11,14,19-20,29H,7,10,12-13H2,1-4H3;5-6,8-9,11,14,19-21,29H,4,7,10,12-13H2,1-3H3;4-5,7-8,10,13,15,19-20,28H,6,9,11-12H2,1-3H3;6-7,9-10,14,19-21,29H,4-5,8,11-13H2,1-3H3,(H,26,28)/t25-,27?,31-;19-,20+;19-,20-,21+;15-,19+,20-;19-,20+,21+/m01101/s1
InChIKeyUCWXMHRFTJGYNB-VQYBURERSA-N
MW2408.05 g/mol
LogP18.12
Rot. Bonds40

About 2-[1-[(2S,4S)-4-hydroxy-4-(hydroxymethyl)-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-methyl-2-(3-methyl-1,2-oxazol-5-yl)propan-1-one;(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)propan-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-oxopentan-2-yl]acetamide

2-[1-[(2S,4S)-4-hydroxy-4-(hydroxymethyl)-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-methyl-2-(3-methyl-1,2-oxazol-5-yl)propan-1-one;(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)propan-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-oxopentan-2-yl]acetamide (PubChem CID 161057093) has the molecular formula C129H151N15O21S5 and a molecular weight of 2408.05 g/mol. Its IUPAC name is 2-[1-[(2S,4S)-4-hydroxy-4-(hydroxymethyl)-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-methyl-2-(3-methyl-1,2-oxazol-5-yl)propan-1-one;(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)propan-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-oxopentan-2-yl]acetamide.

Molecular Properties

Compound Name2-[1-[(2S,4S)-4-hydroxy-4-(hydroxymethyl)-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-methyl-2-(3-methyl-1,2-oxazol-5-yl)propan-1-one;(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)propan-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-oxopentan-2-yl]acetamide
PubChem CID161057093
Molecular FormulaC129H151N15O21S5
Molecular Weight2408.05 g/mol
Exact Mass2405.98
IUPAC Name2-[1-[(2S,4S)-4-hydroxy-4-(hydroxymethyl)-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-methyl-2-(3-methyl-1,2-oxazol-5-yl)propan-1-one;(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)propan-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-oxopentan-2-yl]acetamide
SMILESCCC[C@H](NC(C)=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)CCc1ccc(-c2scnc2C)cc1.CC[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)CCc1ccc(-c2scnc2C)cc1)c1cc(C)no1.Cc1cc(C(C)(C)C(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(-c3scnc3C)cc2)on1.Cc1cc([C@H](C)C(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(-c3scnc3C)cc2)on1.Cc1ncsc1-c1ccc(CCC(=O)[C@@H]2C[C@@](O)(CO)CN2C(=O)C(C(C)C)N2Cc3ccccc3C2=O)cc1
InChIInChI=1S/C31H35N3O5S.2C25H29N3O4S.C24H27N3O4S.C24H31N3O4S/c1-19(2)27(33-15-23-6-4-5-7-24(23)29(33)37)30(38)34-16-31(39,17-35)14-25(34)26(36)13-10-21-8-11-22(12-9-21)28-20(3)32-18-40-28;1-15-11-22(32-27-15)25(3,4)24(31)28-13-19(29)12-20(28)21(30)10-7-17-5-8-18(9-6-17)23-16(2)26-14-33-23;1-4-20(23-11-15(2)27-32-23)25(31)28-13-19(29)12-21(28)22(30)10-7-17-5-8-18(9-6-17)24-16(3)26-14-33-24;1-14-10-22(31-26-14)15(2)24(30)27-12-19(28)11-20(27)21(29)9-6-17-4-7-18(8-5-17)23-16(3)25-13-32-23;1-4-5-20(26-16(3)28)24(31)27-13-19(29)12-21(27)22(30)11-8-17-6-9-18(10-7-17)23-15(2)25-14-32-23/h4-9,11-12,18-19,25,27,35,39H,10,13-17H2,1-3H3;5-6,8-9,11,14,19-20,29H,7,10,12-13H2,1-4H3;5-6,8-9,11,14,19-21,29H,4,7,10,12-13H2,1-3H3;4-5,7-8,10,13,15,19-20,28H,6,9,11-12H2,1-3H3;6-7,9-10,14,19-21,29H,4-5,8,11-13H2,1-3H3,(H,26,28)/t25-,27?,31-;19-,20+;19-,20-,21+;15-,19+,20-;19-,20+,21+/m01101/s1
InChIKeyUCWXMHRFTJGYNB-VQYBURERSA-N
XLogP18.12
TPSA500.23 Ų
H-Bond Donors7
H-Bond Acceptors34
Rotatable Bonds40
Heavy Atoms170
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002408.05
LogP ≤ 518.12
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1034

Analyze 2-[1-[(2S,4S)-4-hydroxy-4-(hydroxymethyl)-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-methyl-2-(3-methyl-1,2-oxazol-5-yl)propan-1-one;(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)propan-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-oxopentan-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2S,4S)-4-hydroxy-4-(hydroxymethyl)-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-methyl-2-(3-methyl-1,2-oxazol-5-yl)propan-1-one;(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)propan-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-oxopentan-2-yl]acetamide?
The IUPAC name of 2-[1-[(2S,4S)-4-hydroxy-4-(hydroxymethyl)-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-methyl-2-(3-methyl-1,2-oxazol-5-yl)propan-1-one;(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)propan-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-oxopentan-2-yl]acetamide (CID 161057093) is 2-[1-[(2S,4S)-4-hydroxy-4-(hydroxymethyl)-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-methyl-2-(3-methyl-1,2-oxazol-5-yl)propan-1-one;(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)propan-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-oxopentan-2-yl]acetamide.
What is the SMILES notation for 2-[1-[(2S,4S)-4-hydroxy-4-(hydroxymethyl)-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-methyl-2-(3-methyl-1,2-oxazol-5-yl)propan-1-one;(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)propan-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-oxopentan-2-yl]acetamide?
The canonical SMILES for 2-[1-[(2S,4S)-4-hydroxy-4-(hydroxymethyl)-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-methyl-2-(3-methyl-1,2-oxazol-5-yl)propan-1-one;(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)propan-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-oxopentan-2-yl]acetamide is CCC[C@H](NC(C)=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)CCc1ccc(-c2scnc2C)cc1.CC[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)CCc1ccc(-c2scnc2C)cc1)c1cc(C)no1.Cc1cc(C(C)(C)C(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(-c3scnc3C)cc2)on1.Cc1cc([C@H](C)C(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(-c3scnc3C)cc2)on1.Cc1ncsc1-c1ccc(CCC(=O)[C@@H]2C[C@@](O)(CO)CN2C(=O)C(C(C)C)N2Cc3ccccc3C2=O)cc1.
What is the InChIKey of 2-[1-[(2S,4S)-4-hydroxy-4-(hydroxymethyl)-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-methyl-2-(3-methyl-1,2-oxazol-5-yl)propan-1-one;(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)propan-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-oxopentan-2-yl]acetamide?
The InChIKey is UCWXMHRFTJGYNB-VQYBURERSA-N. The full InChI is InChI=1S/C31H35N3O5S.2C25H29N3O4S.C24H27N3O4S.C24H31N3O4S/c1-19(2)27(33-15-23-6-4-5-7-24(23)29(33)37)30(38)34-16-31(39,17-35)14-25(34)26(36)13-10-21-8-11-22(12-9-21)28-20(3)32-18-40-28;1-15-11-22(32-27-15)25(3,4)24(31)28-13-19(29)12-20(28)21(30)10-7-17-5-8-18(9-6-17)23-16(2)26-14-33-23;1-4-20(23-11-15(2)27-32-23)25(31)28-13-19(29)12-21(28)22(30)10-7-17-5-8-18(9-6-17)24-16(3)26-14-33-24;1-14-10-22(31-26-14)15(2)24(30)27-12-19(28)11-20(27)21(29)9-6-17-4-7-18(8-5-17)23-16(3)25-13-32-23;1-4-5-20(26-16(3)28)24(31)27-13-19(29)12-21(27)22(30)11-8-17-6-9-18(10-7-17)23-15(2)25-14-32-23/h4-9,11-12,18-19,25,27,35,39H,10,13-17H2,1-3H3;5-6,8-9,11,14,19-20,29H,7,10,12-13H2,1-4H3;5-6,8-9,11,14,19-21,29H,4,7,10,12-13H2,1-3H3;4-5,7-8,10,13,15,19-20,28H,6,9,11-12H2,1-3H3;6-7,9-10,14,19-21,29H,4-5,8,11-13H2,1-3H3,(H,26,28)/t25-,27?,31-;19-,20+;19-,20-,21+;15-,19+,20-;19-,20+,21+/m01101/s1.
What are the key properties of 2-[1-[(2S,4S)-4-hydroxy-4-(hydroxymethyl)-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-methyl-2-(3-methyl-1,2-oxazol-5-yl)propan-1-one;(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)propan-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-oxopentan-2-yl]acetamide?
2-[1-[(2S,4S)-4-hydroxy-4-(hydroxymethyl)-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-methyl-2-(3-methyl-1,2-oxazol-5-yl)propan-1-one;(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)propan-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-oxopentan-2-yl]acetamide has a molecular weight of 2408.05 g/mol, XLogP of 18.12, 40 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2S,4S)-4-hydroxy-4-(hydroxymethyl)-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-methyl-2-(3-methyl-1,2-oxazol-5-yl)propan-1-one;(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)propan-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-oxopentan-2-yl]acetamide is sourced from PubChem (CID 161057093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).