(4R)-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-N-[(1S)-1-[2-ethyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;(4R)-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;tris(2-[[5-bromo-2-[3-methyl-4-(methylsulfamoyl)anilino]pyrimidin-4-yl]amino]-6-methylbenzamide);(4R)-1-[(2S)-3,3-dimethyl-2-(methylamino)butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;methane

C149H221Br3N30O20S6 — CID 164954712

IUPAC(4R)-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-N-[(1S)-1-[2-ethyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;(4R)-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;tris(2-[[5-bromo-2-[3-methyl-4-(methylsulfamoyl)anilino]pyrimidin-4-yl]amino]-6-methylbenzamide);(4R)-1-[(2S)-3,3-dimethyl-2-(methylamino)butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.CC(=O)N[C@H](C(=O)N1C[C@H](O)CC1C(=O)N[C@@H](C)c1ccc(-c2scnc2C)cc1)C(C)(C)C.CCc1cc(-c2scnc2C)ccc1[C@H](C)NC(=O)C1C[C@@H](O)CN1C(=O)[C@@H](NC(C)=O)C(C)(C)C.CNS(=O)(=O)c1ccc(Nc2ncc(Br)c(Nc3cccc(C)c3C(N)=O)n2)cc1C.CNS(=O)(=O)c1ccc(Nc2ncc(Br)c(Nc3cccc(C)c3C(N)=O)n2)cc1C.CNS(=O)(=O)c1ccc(Nc2ncc(Br)c(Nc3cccc(C)c3C(N)=O)n2)cc1C.CN[C@H](C(=O)N1C[C@H](O)CC1C(=O)N[C@@H](C)c1ccc(-c2scnc2C)cc1)C(C)(C)C
InChIInChI=1S/C27H38N4O4S.C25H34N4O4S.C24H34N4O3S.3C20H21BrN6O3S.13CH4/c1-8-18-11-19(23-16(3)28-14-36-23)9-10-21(18)15(2)29-25(34)22-12-20(33)13-31(22)26(35)24(27(5,6)7)30-17(4)32;1-14(17-7-9-18(10-8-17)21-15(2)26-13-34-21)27-23(32)20-11-19(31)12-29(20)24(33)22(25(4,5)6)28-16(3)30;1-14(16-7-9-17(10-8-16)20-15(2)26-13-32-20)27-22(30)19-11-18(29)12-28(19)23(31)21(25-6)24(3,4)5;3*1-11-5-4-6-15(17(11)18(22)28)26-19-14(21)10-24-20(27-19)25-13-7-8-16(12(2)9-13)31(29,30)23-3;;;;;;;;;;;;;/h9-11,14-15,20,22,24,33H,8,12-13H2,1-7H3,(H,29,34)(H,30,32);7-10,13-14,19-20,22,31H,11-12H2,1-6H3,(H,27,32)(H,28,30);7-10,13-14,18-19,21,25,29H,11-12H2,1-6H3,(H,27,30);3*4-10,23H,1-3H3,(H2,22,28)(H2,24,25,26,27);13*1H4/t15-,20+,22?,24+;14-,19+,20?,22+;14-,18+,19?,21+;;;;;;;;;;;;;;;;/m000................/s1
InChIKeyBAECTRKXPDZJJS-HKLKOKAWSA-N
MW3184.71 g/mol
LogP27.39
Rot. Bonds40

About (4R)-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-N-[(1S)-1-[2-ethyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;(4R)-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;tris(2-[[5-bromo-2-[3-methyl-4-(methylsulfamoyl)anilino]pyrimidin-4-yl]amino]-6-methylbenzamide);(4R)-1-[(2S)-3,3-dimethyl-2-(methylamino)butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;methane

(4R)-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-N-[(1S)-1-[2-ethyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;(4R)-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;tris(2-[[5-bromo-2-[3-methyl-4-(methylsulfamoyl)anilino]pyrimidin-4-yl]amino]-6-methylbenzamide);(4R)-1-[(2S)-3,3-dimethyl-2-(methylamino)butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;methane (PubChem CID 164954712) has the molecular formula C149H221Br3N30O20S6 and a molecular weight of 3184.71 g/mol. Its IUPAC name is (4R)-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-N-[(1S)-1-[2-ethyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;(4R)-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;tris(2-[[5-bromo-2-[3-methyl-4-(methylsulfamoyl)anilino]pyrimidin-4-yl]amino]-6-methylbenzamide);(4R)-1-[(2S)-3,3-dimethyl-2-(methylamino)butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;methane.

Molecular Properties

Compound Name(4R)-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-N-[(1S)-1-[2-ethyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;(4R)-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;tris(2-[[5-bromo-2-[3-methyl-4-(methylsulfamoyl)anilino]pyrimidin-4-yl]amino]-6-methylbenzamide);(4R)-1-[(2S)-3,3-dimethyl-2-(methylamino)butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;methane
PubChem CID164954712
Molecular FormulaC149H221Br3N30O20S6
Molecular Weight3184.71 g/mol
Exact Mass3179.31
IUPAC Name(4R)-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-N-[(1S)-1-[2-ethyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;(4R)-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;tris(2-[[5-bromo-2-[3-methyl-4-(methylsulfamoyl)anilino]pyrimidin-4-yl]amino]-6-methylbenzamide);(4R)-1-[(2S)-3,3-dimethyl-2-(methylamino)butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.CC(=O)N[C@H](C(=O)N1C[C@H](O)CC1C(=O)N[C@@H](C)c1ccc(-c2scnc2C)cc1)C(C)(C)C.CCc1cc(-c2scnc2C)ccc1[C@H](C)NC(=O)C1C[C@@H](O)CN1C(=O)[C@@H](NC(C)=O)C(C)(C)C.CNS(=O)(=O)c1ccc(Nc2ncc(Br)c(Nc3cccc(C)c3C(N)=O)n2)cc1C.CNS(=O)(=O)c1ccc(Nc2ncc(Br)c(Nc3cccc(C)c3C(N)=O)n2)cc1C.CNS(=O)(=O)c1ccc(Nc2ncc(Br)c(Nc3cccc(C)c3C(N)=O)n2)cc1C.CN[C@H](C(=O)N1C[C@H](O)CC1C(=O)N[C@@H](C)c1ccc(-c2scnc2C)cc1)C(C)(C)C
InChIInChI=1S/C27H38N4O4S.C25H34N4O4S.C24H34N4O3S.3C20H21BrN6O3S.13CH4/c1-8-18-11-19(23-16(3)28-14-36-23)9-10-21(18)15(2)29-25(34)22-12-20(33)13-31(22)26(35)24(27(5,6)7)30-17(4)32;1-14(17-7-9-18(10-8-17)21-15(2)26-13-34-21)27-23(32)20-11-19(31)12-29(20)24(33)22(25(4,5)6)28-16(3)30;1-14(16-7-9-17(10-8-16)20-15(2)26-13-32-20)27-22(30)19-11-18(29)12-28(19)23(31)21(25-6)24(3,4)5;3*1-11-5-4-6-15(17(11)18(22)28)26-19-14(21)10-24-20(27-19)25-13-7-8-16(12(2)9-13)31(29,30)23-3;;;;;;;;;;;;;/h9-11,14-15,20,22,24,33H,8,12-13H2,1-7H3,(H,29,34)(H,30,32);7-10,13-14,19-20,22,31H,11-12H2,1-6H3,(H,27,32)(H,28,30);7-10,13-14,18-19,21,25,29H,11-12H2,1-6H3,(H,27,30);3*4-10,23H,1-3H3,(H2,22,28)(H2,24,25,26,27);13*1H4/t15-,20+,22?,24+;14-,19+,20?,22+;14-,18+,19?,21+;;;;;;;;;;;;;;;;/m000................/s1
InChIKeyBAECTRKXPDZJJS-HKLKOKAWSA-N
XLogP27.39
TPSA735.12 Ų
H-Bond Donors21
H-Bond Acceptors39
Rotatable Bonds40
Heavy Atoms208
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003184.71
LogP ≤ 527.39
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1039

Analyze (4R)-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-N-[(1S)-1-[2-ethyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;(4R)-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;tris(2-[[5-bromo-2-[3-methyl-4-(methylsulfamoyl)anilino]pyrimidin-4-yl]amino]-6-methylbenzamide);(4R)-1-[(2S)-3,3-dimethyl-2-(methylamino)butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;methane with MolForge

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Related Compounds

(4R)-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-N-[(1S)-1-[2-ethyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;(4R)-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;2-[[5-bromo-2-[2-methyl-4-(methylsulfamoyl)anilino]pyrimidin-4-yl]amino]-6-methylbenzamide;bis(2-[[5-bromo-2-[4-(methylsulfamoyl)anilino]pyrimidin-4-yl]amino]-6-methylbenzamide);ethane;(4R)-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-1-[(2S)-2,3,3-trimethylbutanoyl]pyrrolidine-2-carboxamide;methane
CID 164974273
(4R)-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-N-[(1S)-1-[2-ethyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;(4R)-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;bis(5-bromo-4-N-(2,3-dihydro-1-benzofuran-7-yl)-2-N-(1-methylsulfonylpiperidin-4-yl)pyrimidine-2,4-diamine);5-bromo-4-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine;ethane;(2S,4R)-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-1-[(2S)-2,3,3-trimethylbutanoyl]pyrrolidine-2-carboxamide
CID 165028785
(4R)-1-[(2S)-3,3-dimethyl-2-(methylamino)butanoyl]-4-hydroxy-N-[(1R)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 168750480
(4R)-1-[(2S)-2-[[4-[[4-[[4-[2-[amino(hydroxy)methyl]-3-fluoroanilino]-5-bromopyrimidin-2-yl]amino]-3-methylphenyl]sulfonylamino]cyclohexyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 155184597
N-[1-[4-hydroxy-2-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl iodide
CID 126619622
(2S,4R)-1-[(2S)-3,3-dimethyl-2-(prop-2-enoylamino)butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 166856593
(2S,4R)-1-(2-acetamido-3,3-dimethylbutanoyl)-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propyl]pyrrolidine-2-carboxamide
CID 155400974
ethyl 5-[3-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]phenyl]pentanoate
CID 170976737
butyl N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;hydrochloride
CID 175840538
(2R,4S)-1-[(2R)-2-(2,2-dimethylpropanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1R)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 138534317
(2R,4R)-1-[(2S)-2-(tert-butylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1R)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 158069000
(4R)-1-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 164992764

Frequently Asked Questions

What is the IUPAC name of (4R)-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-N-[(1S)-1-[2-ethyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;(4R)-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;tris(2-[[5-bromo-2-[3-methyl-4-(methylsulfamoyl)anilino]pyrimidin-4-yl]amino]-6-methylbenzamide);(4R)-1-[(2S)-3,3-dimethyl-2-(methylamino)butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;methane?
The IUPAC name of (4R)-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-N-[(1S)-1-[2-ethyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;(4R)-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;tris(2-[[5-bromo-2-[3-methyl-4-(methylsulfamoyl)anilino]pyrimidin-4-yl]amino]-6-methylbenzamide);(4R)-1-[(2S)-3,3-dimethyl-2-(methylamino)butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;methane (CID 164954712) is (4R)-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-N-[(1S)-1-[2-ethyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;(4R)-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;tris(2-[[5-bromo-2-[3-methyl-4-(methylsulfamoyl)anilino]pyrimidin-4-yl]amino]-6-methylbenzamide);(4R)-1-[(2S)-3,3-dimethyl-2-(methylamino)butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;methane.
What is the SMILES notation for (4R)-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-N-[(1S)-1-[2-ethyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;(4R)-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;tris(2-[[5-bromo-2-[3-methyl-4-(methylsulfamoyl)anilino]pyrimidin-4-yl]amino]-6-methylbenzamide);(4R)-1-[(2S)-3,3-dimethyl-2-(methylamino)butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;methane?
The canonical SMILES for (4R)-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-N-[(1S)-1-[2-ethyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;(4R)-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;tris(2-[[5-bromo-2-[3-methyl-4-(methylsulfamoyl)anilino]pyrimidin-4-yl]amino]-6-methylbenzamide);(4R)-1-[(2S)-3,3-dimethyl-2-(methylamino)butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;methane is C.C.C.C.C.C.C.C.C.C.C.C.C.CC(=O)N[C@H](C(=O)N1C[C@H](O)CC1C(=O)N[C@@H](C)c1ccc(-c2scnc2C)cc1)C(C)(C)C.CCc1cc(-c2scnc2C)ccc1[C@H](C)NC(=O)C1C[C@@H](O)CN1C(=O)[C@@H](NC(C)=O)C(C)(C)C.CNS(=O)(=O)c1ccc(Nc2ncc(Br)c(Nc3cccc(C)c3C(N)=O)n2)cc1C.CNS(=O)(=O)c1ccc(Nc2ncc(Br)c(Nc3cccc(C)c3C(N)=O)n2)cc1C.CNS(=O)(=O)c1ccc(Nc2ncc(Br)c(Nc3cccc(C)c3C(N)=O)n2)cc1C.CN[C@H](C(=O)N1C[C@H](O)CC1C(=O)N[C@@H](C)c1ccc(-c2scnc2C)cc1)C(C)(C)C.
What is the InChIKey of (4R)-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-N-[(1S)-1-[2-ethyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;(4R)-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;tris(2-[[5-bromo-2-[3-methyl-4-(methylsulfamoyl)anilino]pyrimidin-4-yl]amino]-6-methylbenzamide);(4R)-1-[(2S)-3,3-dimethyl-2-(methylamino)butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;methane?
The InChIKey is BAECTRKXPDZJJS-HKLKOKAWSA-N. The full InChI is InChI=1S/C27H38N4O4S.C25H34N4O4S.C24H34N4O3S.3C20H21BrN6O3S.13CH4/c1-8-18-11-19(23-16(3)28-14-36-23)9-10-21(18)15(2)29-25(34)22-12-20(33)13-31(22)26(35)24(27(5,6)7)30-17(4)32;1-14(17-7-9-18(10-8-17)21-15(2)26-13-34-21)27-23(32)20-11-19(31)12-29(20)24(33)22(25(4,5)6)28-16(3)30;1-14(16-7-9-17(10-8-16)20-15(2)26-13-32-20)27-22(30)19-11-18(29)12-28(19)23(31)21(25-6)24(3,4)5;3*1-11-5-4-6-15(17(11)18(22)28)26-19-14(21)10-24-20(27-19)25-13-7-8-16(12(2)9-13)31(29,30)23-3;;;;;;;;;;;;;/h9-11,14-15,20,22,24,33H,8,12-13H2,1-7H3,(H,29,34)(H,30,32);7-10,13-14,19-20,22,31H,11-12H2,1-6H3,(H,27,32)(H,28,30);7-10,13-14,18-19,21,25,29H,11-12H2,1-6H3,(H,27,30);3*4-10,23H,1-3H3,(H2,22,28)(H2,24,25,26,27);13*1H4/t15-,20+,22?,24+;14-,19+,20?,22+;14-,18+,19?,21+;;;;;;;;;;;;;;;;/m000................/s1.
What are the key properties of (4R)-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-N-[(1S)-1-[2-ethyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;(4R)-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;tris(2-[[5-bromo-2-[3-methyl-4-(methylsulfamoyl)anilino]pyrimidin-4-yl]amino]-6-methylbenzamide);(4R)-1-[(2S)-3,3-dimethyl-2-(methylamino)butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;methane?
(4R)-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-N-[(1S)-1-[2-ethyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;(4R)-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;tris(2-[[5-bromo-2-[3-methyl-4-(methylsulfamoyl)anilino]pyrimidin-4-yl]amino]-6-methylbenzamide);(4R)-1-[(2S)-3,3-dimethyl-2-(methylamino)butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;methane has a molecular weight of 3184.71 g/mol, XLogP of 27.39, 40 rotatable bonds, 21 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-N-[(1S)-1-[2-ethyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;(4R)-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;tris(2-[[5-bromo-2-[3-methyl-4-(methylsulfamoyl)anilino]pyrimidin-4-yl]amino]-6-methylbenzamide);(4R)-1-[(2S)-3,3-dimethyl-2-(methylamino)butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;methane is sourced from PubChem (CID 164954712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).