(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-8-oxa-1,3-diazaspiro[4.5]decan-1-yl]phenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

C250H291Cl3F10N36O39S7 — CID 159297514

IUPAC(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-8-oxa-1,3-diazaspiro[4.5]decan-1-yl]phenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESC[C@@H]1C[C@@H](C(=O)NCc2ccc(-c3cnco3)cc2)N(C(=O)[C@@H](NC(=O)COCCCOCCCCOc2ccc(N3C(=S)N(c4ccc(C#N)c(Cl)c4)C(=O)C3(C)C)cc2F)C(C)(C)C)C1.C[C@@H]1C[C@@H](C(=O)NCc2ccc(-c3cnco3)cc2)N(C(=O)[C@@H](NC(=O)COCCCOCCCCOc2ccc(N3C(=S)N(c4cnc(C#N)c(C(F)(F)F)c4)C(=O)C3(C)C)cc2F)C(C)(C)C)C1.C[C@@H]1C[C@@H](C(=O)NCc2ccc(-c3cncs3)cc2)N(C(=O)[C@@H](NC(=O)COCCCOCCCCOc2ccc(N3C(=S)N(c4ccc(C#N)c(Cl)c4)C(=O)C3(C)C)cc2F)C(C)(C)C)C1.Cc1ncoc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](C)CN2C(=O)[C@@H](NC(=O)COCCCOCCCCOc2ccc(N3C(=S)N(c4ccc(C#N)c(Cl)c4)C(=O)C3(C)C)cc2F)C(C)(C)C)cc1.Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](C)CN2C(=O)[C@@H](NC(=O)COCCCOCCCCOc2ccc(N3C(=S)N(c4ccc(C#N)c(C(F)(F)F)c4)C(=O)C34CCOCC4)cc2)C(C)(C)C)cc1
InChIInChI=1S/C53H62F3N7O8S2.C50H59ClFN7O8S.C49H57ClFN7O8S.C49H57ClFN7O7S2.C49H56F4N8O8S/c1-34-27-43(47(65)58-30-36-9-11-37(12-10-36)45-35(2)59-33-73-45)61(31-34)48(66)46(51(3,4)5)60-44(64)32-70-23-8-22-68-21-6-7-24-71-41-17-15-39(16-18-41)63-50(72)62(49(67)52(63)19-25-69-26-20-52)40-14-13-38(29-57)42(28-40)53(54,55)56;1-31-23-40(45(61)54-27-33-11-13-34(14-12-33)43-32(2)55-30-67-43)57(28-31)46(62)44(49(3,4)5)56-42(60)29-65-21-10-20-64-19-8-9-22-66-41-18-17-37(25-39(41)52)59-48(68)58(47(63)50(59,6)7)36-16-15-35(26-53)38(51)24-36;1-31-22-39(44(60)54-26-32-10-12-33(13-11-32)41-27-53-30-66-41)56(28-31)45(61)43(48(2,3)4)55-42(59)29-64-20-9-19-63-18-7-8-21-65-40-17-16-36(24-38(40)51)58-47(67)57(46(62)49(58,5)6)35-15-14-34(25-52)37(50)23-35;1-31-22-39(44(60)54-26-32-10-12-33(13-11-32)41-27-53-30-67-41)56(28-31)45(61)43(48(2,3)4)55-42(59)29-64-20-9-19-63-18-7-8-21-65-40-17-16-36(24-38(40)51)58-47(66)57(46(62)49(58,5)6)35-15-14-34(25-52)37(50)23-35;1-30-20-38(43(63)57-24-31-10-12-32(13-11-31)40-26-55-29-69-40)59(27-30)44(64)42(47(2,3)4)58-41(62)28-67-18-9-17-66-16-7-8-19-68-39-15-14-33(22-36(39)50)61-46(70)60(45(65)48(61,5)6)34-21-35(49(51,52)53)37(23-54)56-25-34/h9-18,28,33-34,43,46H,6-8,19-27,30-32H2,1-5H3,(H,58,65)(H,60,64);11-18,24-25,30-31,40,44H,8-10,19-23,27-29H2,1-7H3,(H,54,61)(H,56,60);2*10-17,23-24,27,30-31,39,43H,7-9,18-22,26,28-29H2,1-6H3,(H,54,60)(H,55,59);10-15,21-22,25-26,29-30,38,42H,7-9,16-20,24,27-28H2,1-6H3,(H,57,63)(H,58,62)/t34-,43+,46-;31-,40+,44-;2*31-,39+,43-;30-,38+,42-/m11111/s1
InChIKeyLAXKZHPLKAUJFL-LHNWFDJFSA-N
MW4945.10 g/mol
LogP39.26
Rot. Bonds100

About (2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-8-oxa-1,3-diazaspiro[4.5]decan-1-yl]phenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-8-oxa-1,3-diazaspiro[4.5]decan-1-yl]phenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 159297514) has the molecular formula C250H291Cl3F10N36O39S7 and a molecular weight of 4945.10 g/mol. Its IUPAC name is (2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-8-oxa-1,3-diazaspiro[4.5]decan-1-yl]phenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-8-oxa-1,3-diazaspiro[4.5]decan-1-yl]phenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID159297514
Molecular FormulaC250H291Cl3F10N36O39S7
Molecular Weight4945.10 g/mol
Exact Mass4939.88
IUPAC Name(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-8-oxa-1,3-diazaspiro[4.5]decan-1-yl]phenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESC[C@@H]1C[C@@H](C(=O)NCc2ccc(-c3cnco3)cc2)N(C(=O)[C@@H](NC(=O)COCCCOCCCCOc2ccc(N3C(=S)N(c4ccc(C#N)c(Cl)c4)C(=O)C3(C)C)cc2F)C(C)(C)C)C1.C[C@@H]1C[C@@H](C(=O)NCc2ccc(-c3cnco3)cc2)N(C(=O)[C@@H](NC(=O)COCCCOCCCCOc2ccc(N3C(=S)N(c4cnc(C#N)c(C(F)(F)F)c4)C(=O)C3(C)C)cc2F)C(C)(C)C)C1.C[C@@H]1C[C@@H](C(=O)NCc2ccc(-c3cncs3)cc2)N(C(=O)[C@@H](NC(=O)COCCCOCCCCOc2ccc(N3C(=S)N(c4ccc(C#N)c(Cl)c4)C(=O)C3(C)C)cc2F)C(C)(C)C)C1.Cc1ncoc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](C)CN2C(=O)[C@@H](NC(=O)COCCCOCCCCOc2ccc(N3C(=S)N(c4ccc(C#N)c(Cl)c4)C(=O)C3(C)C)cc2F)C(C)(C)C)cc1.Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](C)CN2C(=O)[C@@H](NC(=O)COCCCOCCCCOc2ccc(N3C(=S)N(c4ccc(C#N)c(C(F)(F)F)c4)C(=O)C34CCOCC4)cc2)C(C)(C)C)cc1
InChIInChI=1S/C53H62F3N7O8S2.C50H59ClFN7O8S.C49H57ClFN7O8S.C49H57ClFN7O7S2.C49H56F4N8O8S/c1-34-27-43(47(65)58-30-36-9-11-37(12-10-36)45-35(2)59-33-73-45)61(31-34)48(66)46(51(3,4)5)60-44(64)32-70-23-8-22-68-21-6-7-24-71-41-17-15-39(16-18-41)63-50(72)62(49(67)52(63)19-25-69-26-20-52)40-14-13-38(29-57)42(28-40)53(54,55)56;1-31-23-40(45(61)54-27-33-11-13-34(14-12-33)43-32(2)55-30-67-43)57(28-31)46(62)44(49(3,4)5)56-42(60)29-65-21-10-20-64-19-8-9-22-66-41-18-17-37(25-39(41)52)59-48(68)58(47(63)50(59,6)7)36-16-15-35(26-53)38(51)24-36;1-31-22-39(44(60)54-26-32-10-12-33(13-11-32)41-27-53-30-66-41)56(28-31)45(61)43(48(2,3)4)55-42(59)29-64-20-9-19-63-18-7-8-21-65-40-17-16-36(24-38(40)51)58-47(67)57(46(62)49(58,5)6)35-15-14-34(25-52)37(50)23-35;1-31-22-39(44(60)54-26-32-10-12-33(13-11-32)41-27-53-30-67-41)56(28-31)45(61)43(48(2,3)4)55-42(59)29-64-20-9-19-63-18-7-8-21-65-40-17-16-36(24-38(40)51)58-47(66)57(46(62)49(58,5)6)35-15-14-34(25-52)37(50)23-35;1-30-20-38(43(63)57-24-31-10-12-32(13-11-31)40-26-55-29-69-40)59(27-30)44(64)42(47(2,3)4)58-41(62)28-67-18-9-17-66-16-7-8-19-68-39-15-14-33(22-36(39)50)61-46(70)60(45(65)48(61,5)6)34-21-35(49(51,52)53)37(23-54)56-25-34/h9-18,28,33-34,43,46H,6-8,19-27,30-32H2,1-5H3,(H,58,65)(H,60,64);11-18,24-25,30-31,40,44H,8-10,19-23,27-29H2,1-7H3,(H,54,61)(H,56,60);2*10-17,23-24,27,30-31,39,43H,7-9,18-22,26,28-29H2,1-6H3,(H,54,60)(H,55,59);10-15,21-22,25-26,29-30,38,42H,7-9,16-20,24,27-28H2,1-6H3,(H,57,63)(H,58,62)/t34-,43+,46-;31-,40+,44-;2*31-,39+,43-;30-,38+,42-/m11111/s1
InChIKeyLAXKZHPLKAUJFL-LHNWFDJFSA-N
XLogP39.26
TPSA893.69 Ų
H-Bond Donors10
H-Bond Acceptors57
Rotatable Bonds100
Heavy Atoms345
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004945.10
LogP ≤ 539.26
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1057

Analyze (2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-8-oxa-1,3-diazaspiro[4.5]decan-1-yl]phenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-8-oxa-1,3-diazaspiro[4.5]decan-1-yl]phenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-8-oxa-1,3-diazaspiro[4.5]decan-1-yl]phenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide (CID 159297514) is (2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-8-oxa-1,3-diazaspiro[4.5]decan-1-yl]phenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-8-oxa-1,3-diazaspiro[4.5]decan-1-yl]phenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-8-oxa-1,3-diazaspiro[4.5]decan-1-yl]phenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide is C[C@@H]1C[C@@H](C(=O)NCc2ccc(-c3cnco3)cc2)N(C(=O)[C@@H](NC(=O)COCCCOCCCCOc2ccc(N3C(=S)N(c4ccc(C#N)c(Cl)c4)C(=O)C3(C)C)cc2F)C(C)(C)C)C1.C[C@@H]1C[C@@H](C(=O)NCc2ccc(-c3cnco3)cc2)N(C(=O)[C@@H](NC(=O)COCCCOCCCCOc2ccc(N3C(=S)N(c4cnc(C#N)c(C(F)(F)F)c4)C(=O)C3(C)C)cc2F)C(C)(C)C)C1.C[C@@H]1C[C@@H](C(=O)NCc2ccc(-c3cncs3)cc2)N(C(=O)[C@@H](NC(=O)COCCCOCCCCOc2ccc(N3C(=S)N(c4ccc(C#N)c(Cl)c4)C(=O)C3(C)C)cc2F)C(C)(C)C)C1.Cc1ncoc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](C)CN2C(=O)[C@@H](NC(=O)COCCCOCCCCOc2ccc(N3C(=S)N(c4ccc(C#N)c(Cl)c4)C(=O)C3(C)C)cc2F)C(C)(C)C)cc1.Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](C)CN2C(=O)[C@@H](NC(=O)COCCCOCCCCOc2ccc(N3C(=S)N(c4ccc(C#N)c(C(F)(F)F)c4)C(=O)C34CCOCC4)cc2)C(C)(C)C)cc1.
What is the InChIKey of (2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-8-oxa-1,3-diazaspiro[4.5]decan-1-yl]phenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is LAXKZHPLKAUJFL-LHNWFDJFSA-N. The full InChI is InChI=1S/C53H62F3N7O8S2.C50H59ClFN7O8S.C49H57ClFN7O8S.C49H57ClFN7O7S2.C49H56F4N8O8S/c1-34-27-43(47(65)58-30-36-9-11-37(12-10-36)45-35(2)59-33-73-45)61(31-34)48(66)46(51(3,4)5)60-44(64)32-70-23-8-22-68-21-6-7-24-71-41-17-15-39(16-18-41)63-50(72)62(49(67)52(63)19-25-69-26-20-52)40-14-13-38(29-57)42(28-40)53(54,55)56;1-31-23-40(45(61)54-27-33-11-13-34(14-12-33)43-32(2)55-30-67-43)57(28-31)46(62)44(49(3,4)5)56-42(60)29-65-21-10-20-64-19-8-9-22-66-41-18-17-37(25-39(41)52)59-48(68)58(47(63)50(59,6)7)36-16-15-35(26-53)38(51)24-36;1-31-22-39(44(60)54-26-32-10-12-33(13-11-32)41-27-53-30-66-41)56(28-31)45(61)43(48(2,3)4)55-42(59)29-64-20-9-19-63-18-7-8-21-65-40-17-16-36(24-38(40)51)58-47(67)57(46(62)49(58,5)6)35-15-14-34(25-52)37(50)23-35;1-31-22-39(44(60)54-26-32-10-12-33(13-11-32)41-27-53-30-67-41)56(28-31)45(61)43(48(2,3)4)55-42(59)29-64-20-9-19-63-18-7-8-21-65-40-17-16-36(24-38(40)51)58-47(66)57(46(62)49(58,5)6)35-15-14-34(25-52)37(50)23-35;1-30-20-38(43(63)57-24-31-10-12-32(13-11-31)40-26-55-29-69-40)59(27-30)44(64)42(47(2,3)4)58-41(62)28-67-18-9-17-66-16-7-8-19-68-39-15-14-33(22-36(39)50)61-46(70)60(45(65)48(61,5)6)34-21-35(49(51,52)53)37(23-54)56-25-34/h9-18,28,33-34,43,46H,6-8,19-27,30-32H2,1-5H3,(H,58,65)(H,60,64);11-18,24-25,30-31,40,44H,8-10,19-23,27-29H2,1-7H3,(H,54,61)(H,56,60);2*10-17,23-24,27,30-31,39,43H,7-9,18-22,26,28-29H2,1-6H3,(H,54,60)(H,55,59);10-15,21-22,25-26,29-30,38,42H,7-9,16-20,24,27-28H2,1-6H3,(H,57,63)(H,58,62)/t34-,43+,46-;31-,40+,44-;2*31-,39+,43-;30-,38+,42-/m11111/s1.
What are the key properties of (2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-8-oxa-1,3-diazaspiro[4.5]decan-1-yl]phenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide?
(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-8-oxa-1,3-diazaspiro[4.5]decan-1-yl]phenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 4945.10 g/mol, XLogP of 39.26, 100 rotatable bonds, 10 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-8-oxa-1,3-diazaspiro[4.5]decan-1-yl]phenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 159297514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).