(2S)-2-tert-butyl-6-[2-[4-[4-[4-[3-(4-chloro-3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutoxy]ethoxy]-1-[(2R,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]hexane-1,4-dione;(2R)-2-tert-butyl-6-[2-[2-[2-[2-[2-[4-[4-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]hexane-1,4-dione;(2R)-2-tert-butyl-6-[2-[2-[2-[4-[4-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]hexane-1,4-dione;(2S,4R)-1-[(2R)-3,3-dimethyl-2-[6-[4-[2-[2-[2-[[5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-3-morpholin-4-yl-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]hexanoylamino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pyrrolidine-2-carboxamide

C240H291Cl3F9N21O40S4 — CID 160846504

IUPAC(2S)-2-tert-butyl-6-[2-[4-[4-[4-[3-(4-chloro-3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutoxy]ethoxy]-1-[(2R,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]hexane-1,4-dione;(2R)-2-tert-butyl-6-[2-[2-[2-[2-[2-[4-[4-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]hexane-1,4-dione;(2R)-2-tert-butyl-6-[2-[2-[2-[4-[4-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]hexane-1,4-dione;(2S,4R)-1-[(2R)-3,3-dimethyl-2-[6-[4-[2-[2-[2-[[5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-3-morpholin-4-yl-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]hexanoylamino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
SMILESC=C(N[C@@H](C)c1ccc(-c2scnc2C)cc1)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](CC(=O)CCOCCOCCOCCOCCCC(=O)c1cc(Oc2ccc(CC(=O)Cc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1)C(C)(C)C.C=C(N[C@@H](C)c1ccc(-c2scnc2C)cc1)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](CC(=O)CCOCCOCCOCCOCCOCCOCCCC(=O)c1cc(Oc2ccc(CC(=O)Cc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1)C(C)(C)C.C=C(N[C@@H](C)c1ccc(-c2scnc2C)cc1)[C@H]1C[C@@H](O)CN1C(=O)[C@@H](CC(=O)CCOCCOCCCC(=O)c1cc(Oc2ccc(CC(=O)Cc3ccc(Cl)c(C)c3)cc2)ccn1)C(C)(C)C.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OCCOCCOCCOCc2cn(CCCCCC(=O)N[C@@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)c3ccc(-c4sccc4C)cc3)C(C)(C)C)nn2)c(N2CCOCC2)c1
InChIInChI=1S/C63H78ClF3N4O12S.C63H78F3N9O10S.C59H70ClF3N4O10S.C55H65ClN4O8S/c1-42(47-12-14-48(15-13-47)60-44(3)69-41-84-60)70-43(2)58-38-51(74)40-71(58)61(76)55(62(4,5)6)37-49(72)20-23-78-25-27-80-29-31-82-33-32-81-30-28-79-26-24-77-22-7-8-59(75)57-39-53(19-21-68-57)83-52-16-9-45(10-17-52)34-50(73)35-46-11-18-56(64)54(36-46)63(65,66)67;1-41-14-19-49(69-58(78)46-11-10-12-48(33-46)63(64,65)66)35-52(41)47-34-54(73-22-24-81-25-23-73)60(67-37-47)85-31-30-83-27-26-82-28-29-84-40-50-38-74(72-71-50)21-9-7-8-13-55(77)70-57(62(4,5)6)61(80)75-39-51(76)36-53(75)59(79)68-43(3)44-15-17-45(18-16-44)56-42(2)20-32-86-56;1-38(43-12-14-44(15-13-43)56-40(3)65-37-78-56)66-39(2)54-34-47(70)36-67(54)57(72)51(58(4,5)6)33-45(68)20-23-74-25-27-76-29-28-75-26-24-73-22-7-8-55(71)53-35-49(19-21-64-53)77-48-16-9-41(10-17-48)30-46(69)31-42-11-18-52(60)50(32-42)59(61,62)63;1-35-27-40(12-19-49(35)56)29-44(62)28-39-10-17-46(18-11-39)68-47-20-22-57-50(32-47)52(64)9-8-23-66-25-26-67-24-21-43(61)30-48(55(5,6)7)54(65)60-33-45(63)31-51(60)37(3)59-36(2)41-13-15-42(16-14-41)53-38(4)58-34-69-53/h9-19,21,36,39,41-42,51,55,58,70,74H,2,7-8,20,22-35,37-38,40H2,1,3-6H3;10-12,14-20,32-35,37-38,43,51,53,57,76H,7-9,13,21-31,36,39-40H2,1-6H3,(H,68,79)(H,69,78)(H,70,77);9-19,21,32,35,37-38,47,51,54,66,70H,2,7-8,20,22-31,33-34,36H2,1,3-6H3;10-20,22,27,32,34,36,45,48,51,59,63H,3,8-9,21,23-26,28-31,33H2,1-2,4-7H3/t42-,51+,55-,58-;43-,51+,53-,57-;38-,47+,51-,54-;36-,45+,48+,51+/m0000/s1
InChIKeySISCHXYNQGHCEM-TWXHQIIHSA-N
MW4515.68 g/mol
LogP42.24
Rot. Bonds121

About (2S)-2-tert-butyl-6-[2-[4-[4-[4-[3-(4-chloro-3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutoxy]ethoxy]-1-[(2R,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]hexane-1,4-dione;(2R)-2-tert-butyl-6-[2-[2-[2-[2-[2-[4-[4-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]hexane-1,4-dione;(2R)-2-tert-butyl-6-[2-[2-[2-[4-[4-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]hexane-1,4-dione;(2S,4R)-1-[(2R)-3,3-dimethyl-2-[6-[4-[2-[2-[2-[[5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-3-morpholin-4-yl-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]hexanoylamino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pyrrolidine-2-carboxamide

(2S)-2-tert-butyl-6-[2-[4-[4-[4-[3-(4-chloro-3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutoxy]ethoxy]-1-[(2R,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]hexane-1,4-dione;(2R)-2-tert-butyl-6-[2-[2-[2-[2-[2-[4-[4-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]hexane-1,4-dione;(2R)-2-tert-butyl-6-[2-[2-[2-[4-[4-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]hexane-1,4-dione;(2S,4R)-1-[(2R)-3,3-dimethyl-2-[6-[4-[2-[2-[2-[[5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-3-morpholin-4-yl-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]hexanoylamino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pyrrolidine-2-carboxamide (PubChem CID 160846504) has the molecular formula C240H291Cl3F9N21O40S4 and a molecular weight of 4515.68 g/mol. Its IUPAC name is (2S)-2-tert-butyl-6-[2-[4-[4-[4-[3-(4-chloro-3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutoxy]ethoxy]-1-[(2R,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]hexane-1,4-dione;(2R)-2-tert-butyl-6-[2-[2-[2-[2-[2-[4-[4-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]hexane-1,4-dione;(2R)-2-tert-butyl-6-[2-[2-[2-[4-[4-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]hexane-1,4-dione;(2S,4R)-1-[(2R)-3,3-dimethyl-2-[6-[4-[2-[2-[2-[[5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-3-morpholin-4-yl-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]hexanoylamino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-2-tert-butyl-6-[2-[4-[4-[4-[3-(4-chloro-3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutoxy]ethoxy]-1-[(2R,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]hexane-1,4-dione;(2R)-2-tert-butyl-6-[2-[2-[2-[2-[2-[4-[4-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]hexane-1,4-dione;(2R)-2-tert-butyl-6-[2-[2-[2-[4-[4-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]hexane-1,4-dione;(2S,4R)-1-[(2R)-3,3-dimethyl-2-[6-[4-[2-[2-[2-[[5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-3-morpholin-4-yl-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]hexanoylamino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
PubChem CID160846504
Molecular FormulaC240H291Cl3F9N21O40S4
Molecular Weight4515.68 g/mol
Exact Mass4510.92
IUPAC Name(2S)-2-tert-butyl-6-[2-[4-[4-[4-[3-(4-chloro-3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutoxy]ethoxy]-1-[(2R,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]hexane-1,4-dione;(2R)-2-tert-butyl-6-[2-[2-[2-[2-[2-[4-[4-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]hexane-1,4-dione;(2R)-2-tert-butyl-6-[2-[2-[2-[4-[4-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]hexane-1,4-dione;(2S,4R)-1-[(2R)-3,3-dimethyl-2-[6-[4-[2-[2-[2-[[5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-3-morpholin-4-yl-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]hexanoylamino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
SMILESC=C(N[C@@H](C)c1ccc(-c2scnc2C)cc1)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](CC(=O)CCOCCOCCOCCOCCCC(=O)c1cc(Oc2ccc(CC(=O)Cc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1)C(C)(C)C.C=C(N[C@@H](C)c1ccc(-c2scnc2C)cc1)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](CC(=O)CCOCCOCCOCCOCCOCCOCCCC(=O)c1cc(Oc2ccc(CC(=O)Cc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1)C(C)(C)C.C=C(N[C@@H](C)c1ccc(-c2scnc2C)cc1)[C@H]1C[C@@H](O)CN1C(=O)[C@@H](CC(=O)CCOCCOCCCC(=O)c1cc(Oc2ccc(CC(=O)Cc3ccc(Cl)c(C)c3)cc2)ccn1)C(C)(C)C.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OCCOCCOCCOCc2cn(CCCCCC(=O)N[C@@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)c3ccc(-c4sccc4C)cc3)C(C)(C)C)nn2)c(N2CCOCC2)c1
InChIInChI=1S/C63H78ClF3N4O12S.C63H78F3N9O10S.C59H70ClF3N4O10S.C55H65ClN4O8S/c1-42(47-12-14-48(15-13-47)60-44(3)69-41-84-60)70-43(2)58-38-51(74)40-71(58)61(76)55(62(4,5)6)37-49(72)20-23-78-25-27-80-29-31-82-33-32-81-30-28-79-26-24-77-22-7-8-59(75)57-39-53(19-21-68-57)83-52-16-9-45(10-17-52)34-50(73)35-46-11-18-56(64)54(36-46)63(65,66)67;1-41-14-19-49(69-58(78)46-11-10-12-48(33-46)63(64,65)66)35-52(41)47-34-54(73-22-24-81-25-23-73)60(67-37-47)85-31-30-83-27-26-82-28-29-84-40-50-38-74(72-71-50)21-9-7-8-13-55(77)70-57(62(4,5)6)61(80)75-39-51(76)36-53(75)59(79)68-43(3)44-15-17-45(18-16-44)56-42(2)20-32-86-56;1-38(43-12-14-44(15-13-43)56-40(3)65-37-78-56)66-39(2)54-34-47(70)36-67(54)57(72)51(58(4,5)6)33-45(68)20-23-74-25-27-76-29-28-75-26-24-73-22-7-8-55(71)53-35-49(19-21-64-53)77-48-16-9-41(10-17-48)30-46(69)31-42-11-18-52(60)50(32-42)59(61,62)63;1-35-27-40(12-19-49(35)56)29-44(62)28-39-10-17-46(18-11-39)68-47-20-22-57-50(32-47)52(64)9-8-23-66-25-26-67-24-21-43(61)30-48(55(5,6)7)54(65)60-33-45(63)31-51(60)37(3)59-36(2)41-13-15-42(16-14-41)53-38(4)58-34-69-53/h9-19,21,36,39,41-42,51,55,58,70,74H,2,7-8,20,22-35,37-38,40H2,1,3-6H3;10-12,14-20,32-35,37-38,43,51,53,57,76H,7-9,13,21-31,36,39-40H2,1-6H3,(H,68,79)(H,69,78)(H,70,77);9-19,21,32,35,37-38,47,51,54,66,70H,2,7-8,20,22-31,33-34,36H2,1,3-6H3;10-20,22,27,32,34,36,45,48,51,59,63H,3,8-9,21,23-26,28-31,33H2,1-2,4-7H3/t42-,51+,55-,58-;43-,51+,53-,57-;38-,47+,51-,54-;36-,45+,48+,51+/m0000/s1
InChIKeySISCHXYNQGHCEM-TWXHQIIHSA-N
XLogP42.24
TPSA747.96 Ų
H-Bond Donors10
H-Bond Acceptors58
Rotatable Bonds121
Heavy Atoms317
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004515.68
LogP ≤ 542.24
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1058

Analyze (2S)-2-tert-butyl-6-[2-[4-[4-[4-[3-(4-chloro-3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutoxy]ethoxy]-1-[(2R,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]hexane-1,4-dione;(2R)-2-tert-butyl-6-[2-[2-[2-[2-[2-[4-[4-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]hexane-1,4-dione;(2R)-2-tert-butyl-6-[2-[2-[2-[4-[4-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]hexane-1,4-dione;(2S,4R)-1-[(2R)-3,3-dimethyl-2-[6-[4-[2-[2-[2-[[5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-3-morpholin-4-yl-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]hexanoylamino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-[2-[2-[2-[3-[[(2R)-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]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]pyridine-2-carboxamide
CID 142464700
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-[2-[3-[[1-[(2R,4S)-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]-3-oxopropoxy]ethoxy]ethyl]pyridine-2-carboxamide
CID 135390177
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-[2-[3-[[(2R)-1-[(2R,4S)-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]-3-oxopropoxy]ethoxy]ethyl]pyridine-2-carboxamide
CID 135390175
(2S)-2-amino-1-[(2R,4S)-4-hydroxy-2-[(3R)-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butanoyl]pyrrolidin-1-yl]-3,3-dimethylbutan-1-one;3-[2-[4-[4-[4-[3-(4-chloro-3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutoxy]ethoxy]propanoic acid;(2R,4S)-1-[(2S)-2-[3-[2-[4-[4-[4-[3-(4-chloro-3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutoxy]ethoxy]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 158567701
(4R)-1-[(2S)-3,3-dimethyl-2-[[5-[2-methyl-5-[(3-methylbenzoyl)amino]-3-pyridinyl]-3-morpholin-4-yl-2-pyridinyl]amino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;3-methyl-1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]butane;3-methyl-1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one;2-methyl-8-[4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxymethyl]triazol-1-yl]octan-3-one;10-methyl-1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]undecane-2,9-dione;2-methyl-8-[4-[[(2R,4S)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]octan-3-one;2-methyl-8-[4-[[(2S,4S)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]octan-3-one;2-methyl-8-[4-[[(2R,4R)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]octan-3-one;7-[4-[[(2S,4R)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]heptan-2-one
CID 159263450
(2S,4R)-1-[(2R)-3,3-dimethyl-2-[[2-[4-[2-[[5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-morpholin-4-yl-2-pyridinyl]oxy]ethyl]piperazin-1-yl]-3-oxopropyl]amino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 162617575
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-[2-[3-[[(2S)-1-[(2R,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethyl]pyridine-2-carboxamide
CID 162609899
N-[5-[6-[2-[2-[2-[2-[2-[[(2R)-1-[(2R,4S)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]cyclopentyl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 135389879
N-[2-[2-[3-[[(2R)-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]-3-oxopropoxy]ethoxy]ethyl]pyridine-2-carboxamide
CID 159457520
CID 167706394
CID 167706394
(2S,4R)-1-[(2S)-2-tert-butyl-6-[2-[2-[2-[2-[2-[2-[3-(5H-indeno[1,2-c]pyridin-7-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-oxohexanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 158573492
5-[[2-[2,3-dimethyl-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]acetyl]amino]-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]pentanamide
CID 170265159

Frequently Asked Questions

What is the IUPAC name of (2S)-2-tert-butyl-6-[2-[4-[4-[4-[3-(4-chloro-3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutoxy]ethoxy]-1-[(2R,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]hexane-1,4-dione;(2R)-2-tert-butyl-6-[2-[2-[2-[2-[2-[4-[4-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]hexane-1,4-dione;(2R)-2-tert-butyl-6-[2-[2-[2-[4-[4-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]hexane-1,4-dione;(2S,4R)-1-[(2R)-3,3-dimethyl-2-[6-[4-[2-[2-[2-[[5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-3-morpholin-4-yl-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]hexanoylamino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-2-tert-butyl-6-[2-[4-[4-[4-[3-(4-chloro-3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutoxy]ethoxy]-1-[(2R,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]hexane-1,4-dione;(2R)-2-tert-butyl-6-[2-[2-[2-[2-[2-[4-[4-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]hexane-1,4-dione;(2R)-2-tert-butyl-6-[2-[2-[2-[4-[4-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]hexane-1,4-dione;(2S,4R)-1-[(2R)-3,3-dimethyl-2-[6-[4-[2-[2-[2-[[5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-3-morpholin-4-yl-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]hexanoylamino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pyrrolidine-2-carboxamide (CID 160846504) is (2S)-2-tert-butyl-6-[2-[4-[4-[4-[3-(4-chloro-3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutoxy]ethoxy]-1-[(2R,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]hexane-1,4-dione;(2R)-2-tert-butyl-6-[2-[2-[2-[2-[2-[4-[4-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]hexane-1,4-dione;(2R)-2-tert-butyl-6-[2-[2-[2-[4-[4-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]hexane-1,4-dione;(2S,4R)-1-[(2R)-3,3-dimethyl-2-[6-[4-[2-[2-[2-[[5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-3-morpholin-4-yl-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]hexanoylamino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-2-tert-butyl-6-[2-[4-[4-[4-[3-(4-chloro-3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutoxy]ethoxy]-1-[(2R,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]hexane-1,4-dione;(2R)-2-tert-butyl-6-[2-[2-[2-[2-[2-[4-[4-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]hexane-1,4-dione;(2R)-2-tert-butyl-6-[2-[2-[2-[4-[4-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]hexane-1,4-dione;(2S,4R)-1-[(2R)-3,3-dimethyl-2-[6-[4-[2-[2-[2-[[5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-3-morpholin-4-yl-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]hexanoylamino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-2-tert-butyl-6-[2-[4-[4-[4-[3-(4-chloro-3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutoxy]ethoxy]-1-[(2R,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]hexane-1,4-dione;(2R)-2-tert-butyl-6-[2-[2-[2-[2-[2-[4-[4-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]hexane-1,4-dione;(2R)-2-tert-butyl-6-[2-[2-[2-[4-[4-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]hexane-1,4-dione;(2S,4R)-1-[(2R)-3,3-dimethyl-2-[6-[4-[2-[2-[2-[[5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-3-morpholin-4-yl-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]hexanoylamino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pyrrolidine-2-carboxamide is C=C(N[C@@H](C)c1ccc(-c2scnc2C)cc1)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](CC(=O)CCOCCOCCOCCOCCCC(=O)c1cc(Oc2ccc(CC(=O)Cc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1)C(C)(C)C.C=C(N[C@@H](C)c1ccc(-c2scnc2C)cc1)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](CC(=O)CCOCCOCCOCCOCCOCCOCCCC(=O)c1cc(Oc2ccc(CC(=O)Cc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1)C(C)(C)C.C=C(N[C@@H](C)c1ccc(-c2scnc2C)cc1)[C@H]1C[C@@H](O)CN1C(=O)[C@@H](CC(=O)CCOCCOCCCC(=O)c1cc(Oc2ccc(CC(=O)Cc3ccc(Cl)c(C)c3)cc2)ccn1)C(C)(C)C.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OCCOCCOCCOCc2cn(CCCCCC(=O)N[C@@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)c3ccc(-c4sccc4C)cc3)C(C)(C)C)nn2)c(N2CCOCC2)c1.
What is the InChIKey of (2S)-2-tert-butyl-6-[2-[4-[4-[4-[3-(4-chloro-3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutoxy]ethoxy]-1-[(2R,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]hexane-1,4-dione;(2R)-2-tert-butyl-6-[2-[2-[2-[2-[2-[4-[4-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]hexane-1,4-dione;(2R)-2-tert-butyl-6-[2-[2-[2-[4-[4-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]hexane-1,4-dione;(2S,4R)-1-[(2R)-3,3-dimethyl-2-[6-[4-[2-[2-[2-[[5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-3-morpholin-4-yl-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]hexanoylamino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pyrrolidine-2-carboxamide?
The InChIKey is SISCHXYNQGHCEM-TWXHQIIHSA-N. The full InChI is InChI=1S/C63H78ClF3N4O12S.C63H78F3N9O10S.C59H70ClF3N4O10S.C55H65ClN4O8S/c1-42(47-12-14-48(15-13-47)60-44(3)69-41-84-60)70-43(2)58-38-51(74)40-71(58)61(76)55(62(4,5)6)37-49(72)20-23-78-25-27-80-29-31-82-33-32-81-30-28-79-26-24-77-22-7-8-59(75)57-39-53(19-21-68-57)83-52-16-9-45(10-17-52)34-50(73)35-46-11-18-56(64)54(36-46)63(65,66)67;1-41-14-19-49(69-58(78)46-11-10-12-48(33-46)63(64,65)66)35-52(41)47-34-54(73-22-24-81-25-23-73)60(67-37-47)85-31-30-83-27-26-82-28-29-84-40-50-38-74(72-71-50)21-9-7-8-13-55(77)70-57(62(4,5)6)61(80)75-39-51(76)36-53(75)59(79)68-43(3)44-15-17-45(18-16-44)56-42(2)20-32-86-56;1-38(43-12-14-44(15-13-43)56-40(3)65-37-78-56)66-39(2)54-34-47(70)36-67(54)57(72)51(58(4,5)6)33-45(68)20-23-74-25-27-76-29-28-75-26-24-73-22-7-8-55(71)53-35-49(19-21-64-53)77-48-16-9-41(10-17-48)30-46(69)31-42-11-18-52(60)50(32-42)59(61,62)63;1-35-27-40(12-19-49(35)56)29-44(62)28-39-10-17-46(18-11-39)68-47-20-22-57-50(32-47)52(64)9-8-23-66-25-26-67-24-21-43(61)30-48(55(5,6)7)54(65)60-33-45(63)31-51(60)37(3)59-36(2)41-13-15-42(16-14-41)53-38(4)58-34-69-53/h9-19,21,36,39,41-42,51,55,58,70,74H,2,7-8,20,22-35,37-38,40H2,1,3-6H3;10-12,14-20,32-35,37-38,43,51,53,57,76H,7-9,13,21-31,36,39-40H2,1-6H3,(H,68,79)(H,69,78)(H,70,77);9-19,21,32,35,37-38,47,51,54,66,70H,2,7-8,20,22-31,33-34,36H2,1,3-6H3;10-20,22,27,32,34,36,45,48,51,59,63H,3,8-9,21,23-26,28-31,33H2,1-2,4-7H3/t42-,51+,55-,58-;43-,51+,53-,57-;38-,47+,51-,54-;36-,45+,48+,51+/m0000/s1.
What are the key properties of (2S)-2-tert-butyl-6-[2-[4-[4-[4-[3-(4-chloro-3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutoxy]ethoxy]-1-[(2R,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]hexane-1,4-dione;(2R)-2-tert-butyl-6-[2-[2-[2-[2-[2-[4-[4-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]hexane-1,4-dione;(2R)-2-tert-butyl-6-[2-[2-[2-[4-[4-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]hexane-1,4-dione;(2S,4R)-1-[(2R)-3,3-dimethyl-2-[6-[4-[2-[2-[2-[[5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-3-morpholin-4-yl-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]hexanoylamino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pyrrolidine-2-carboxamide?
(2S)-2-tert-butyl-6-[2-[4-[4-[4-[3-(4-chloro-3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutoxy]ethoxy]-1-[(2R,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]hexane-1,4-dione;(2R)-2-tert-butyl-6-[2-[2-[2-[2-[2-[4-[4-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]hexane-1,4-dione;(2R)-2-tert-butyl-6-[2-[2-[2-[4-[4-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]hexane-1,4-dione;(2S,4R)-1-[(2R)-3,3-dimethyl-2-[6-[4-[2-[2-[2-[[5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-3-morpholin-4-yl-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]hexanoylamino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pyrrolidine-2-carboxamide has a molecular weight of 4515.68 g/mol, XLogP of 42.24, 121 rotatable bonds, 10 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-tert-butyl-6-[2-[4-[4-[4-[3-(4-chloro-3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutoxy]ethoxy]-1-[(2R,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]hexane-1,4-dione;(2R)-2-tert-butyl-6-[2-[2-[2-[2-[2-[4-[4-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]hexane-1,4-dione;(2R)-2-tert-butyl-6-[2-[2-[2-[4-[4-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]hexane-1,4-dione;(2S,4R)-1-[(2R)-3,3-dimethyl-2-[6-[4-[2-[2-[2-[[5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-3-morpholin-4-yl-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]hexanoylamino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 160846504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).