(2S,4R)-1-[(2S)-2-[[2-[2-[2-(3-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[5-(3-chloro-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-isocyanoanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;[(3R,5S)-1-[(2S)-2-[[2-[5-(3-chloro-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-isocyanoanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl] acetate;[(3R,5S)-1-[(2S)-2-[[2-[5-(N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methoxyanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl] acetate

C201H241BrCl2N28O28S4 — CID 167631750

IUPAC(2S,4R)-1-[(2S)-2-[[2-[2-[2-(3-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[5-(3-chloro-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-isocyanoanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;[(3R,5S)-1-[(2S)-2-[[2-[5-(3-chloro-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-isocyanoanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl] acetate;[(3R,5S)-1-[(2S)-2-[[2-[5-(N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methoxyanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl] acetate
SMILESCOc1ccc(N(CCCCCOCC(=O)N[C@H](C(=O)N2C[C@H](OC(C)=O)C[C@H]2C(=O)N[C@@H](C)c2ccc(-c3scnc3C)cc2)C(C)(C)C)c2cc(-c3c(C)noc3C)ccc2C)cc1.Cc1ccc(-c2c(C)noc2C)cc1N(CCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)c1ccc(-c2scnc2C)cc1)C(C)(C)C)c1ccc(-n2ccnc2)c(Br)c1.[C-]#[N+]c1ccc(N(CCCCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)c2ccc(-c3scnc3C)cc2)C(C)(C)C)c2cc(-c3c(C)noc3C)ccc2C)cc1Cl.[C-]#[N+]c1ccc(N(CCCCCOCC(=O)N[C@H](C(=O)N2C[C@H](OC(C)=O)C[C@H]2C(=O)N[C@@H](C)c2ccc(-c3scnc3C)cc2)C(C)(C)C)c2cc(-c3c(C)noc3C)ccc2C)cc1Cl
InChIInChI=1S/C51H60ClN7O7S.C51H64N6O8S.C50H59BrN8O7S.C49H58ClN7O6S/c1-30-14-15-38(46-32(3)57-66-34(46)5)24-43(30)58(39-20-21-42(53-10)41(52)25-39)22-12-11-13-23-64-28-45(61)56-48(51(7,8)9)50(63)59-27-40(65-35(6)60)26-44(59)49(62)55-31(2)36-16-18-37(19-17-36)47-33(4)54-29-67-47;1-31-14-15-39(46-33(3)55-65-35(46)5)26-43(31)56(40-20-22-41(62-10)23-21-40)24-12-11-13-25-63-29-45(59)54-48(51(7,8)9)50(61)57-28-42(64-36(6)58)27-44(57)49(60)53-32(2)37-16-18-38(19-17-37)47-34(4)52-30-66-47;1-30-9-10-37(45-32(3)56-66-34(45)5)23-42(30)58(38-15-16-41(40(51)24-38)57-18-17-52-28-57)19-20-64-21-22-65-27-44(61)55-47(50(6,7)8)49(63)59-26-39(60)25-43(59)48(62)54-31(2)35-11-13-36(14-12-35)46-33(4)53-29-67-46;1-29-13-14-36(44-31(3)55-63-33(44)5)23-41(29)56(37-19-20-40(51-9)39(50)24-37)21-11-10-12-22-62-27-43(59)54-46(49(6,7)8)48(61)57-26-38(58)25-42(57)47(60)53-30(2)34-15-17-35(18-16-34)45-32(4)52-28-64-45/h14-21,24-25,29,31,40,44,48H,11-13,22-23,26-28H2,1-9H3,(H,55,62)(H,56,61);14-23,26,30,32,42,44,48H,11-13,24-25,27-29H2,1-10H3,(H,53,60)(H,54,59);9-18,23-24,28-29,31,39,43,47,60H,19-22,25-27H2,1-8H3,(H,54,62)(H,55,61);13-20,23-24,28,30,38,42,46,58H,10-12,21-22,25-27H2,1-8H3,(H,53,60)(H,54,59)/t31-,40+,44-,48+;32-,42+,44-,48+;31-,39+,43-,47+;30-,38+,42-,46+/m0000/s1
InChIKeyNXDAEJVIONGZEA-VEUSVSBHSA-N
MW3776.38 g/mol
LogP36.93
Rot. Bonds72

About (2S,4R)-1-[(2S)-2-[[2-[2-[2-(3-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[5-(3-chloro-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-isocyanoanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;[(3R,5S)-1-[(2S)-2-[[2-[5-(3-chloro-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-isocyanoanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl] acetate;[(3R,5S)-1-[(2S)-2-[[2-[5-(N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methoxyanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl] acetate

(2S,4R)-1-[(2S)-2-[[2-[2-[2-(3-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[5-(3-chloro-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-isocyanoanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;[(3R,5S)-1-[(2S)-2-[[2-[5-(3-chloro-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-isocyanoanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl] acetate;[(3R,5S)-1-[(2S)-2-[[2-[5-(N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methoxyanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl] acetate (PubChem CID 167631750) has the molecular formula C201H241BrCl2N28O28S4 and a molecular weight of 3776.38 g/mol. Its IUPAC name is (2S,4R)-1-[(2S)-2-[[2-[2-[2-(3-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[5-(3-chloro-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-isocyanoanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;[(3R,5S)-1-[(2S)-2-[[2-[5-(3-chloro-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-isocyanoanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl] acetate;[(3R,5S)-1-[(2S)-2-[[2-[5-(N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methoxyanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl] acetate.

Molecular Properties

Compound Name(2S,4R)-1-[(2S)-2-[[2-[2-[2-(3-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[5-(3-chloro-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-isocyanoanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;[(3R,5S)-1-[(2S)-2-[[2-[5-(3-chloro-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-isocyanoanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl] acetate;[(3R,5S)-1-[(2S)-2-[[2-[5-(N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methoxyanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl] acetate
PubChem CID167631750
Molecular FormulaC201H241BrCl2N28O28S4
Molecular Weight3776.38 g/mol
Exact Mass3771.57
IUPAC Name(2S,4R)-1-[(2S)-2-[[2-[2-[2-(3-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[5-(3-chloro-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-isocyanoanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;[(3R,5S)-1-[(2S)-2-[[2-[5-(3-chloro-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-isocyanoanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl] acetate;[(3R,5S)-1-[(2S)-2-[[2-[5-(N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methoxyanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl] acetate
SMILESCOc1ccc(N(CCCCCOCC(=O)N[C@H](C(=O)N2C[C@H](OC(C)=O)C[C@H]2C(=O)N[C@@H](C)c2ccc(-c3scnc3C)cc2)C(C)(C)C)c2cc(-c3c(C)noc3C)ccc2C)cc1.Cc1ccc(-c2c(C)noc2C)cc1N(CCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)c1ccc(-c2scnc2C)cc1)C(C)(C)C)c1ccc(-n2ccnc2)c(Br)c1.[C-]#[N+]c1ccc(N(CCCCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)c2ccc(-c3scnc3C)cc2)C(C)(C)C)c2cc(-c3c(C)noc3C)ccc2C)cc1Cl.[C-]#[N+]c1ccc(N(CCCCCOCC(=O)N[C@H](C(=O)N2C[C@H](OC(C)=O)C[C@H]2C(=O)N[C@@H](C)c2ccc(-c3scnc3C)cc2)C(C)(C)C)c2cc(-c3c(C)noc3C)ccc2C)cc1Cl
InChIInChI=1S/C51H60ClN7O7S.C51H64N6O8S.C50H59BrN8O7S.C49H58ClN7O6S/c1-30-14-15-38(46-32(3)57-66-34(46)5)24-43(30)58(39-20-21-42(53-10)41(52)25-39)22-12-11-13-23-64-28-45(61)56-48(51(7,8)9)50(63)59-27-40(65-35(6)60)26-44(59)49(62)55-31(2)36-16-18-37(19-17-36)47-33(4)54-29-67-47;1-31-14-15-39(46-33(3)55-65-35(46)5)26-43(31)56(40-20-22-41(62-10)23-21-40)24-12-11-13-25-63-29-45(59)54-48(51(7,8)9)50(61)57-28-42(64-36(6)58)27-44(57)49(60)53-32(2)37-16-18-38(19-17-37)47-34(4)52-30-66-47;1-30-9-10-37(45-32(3)56-66-34(45)5)23-42(30)58(38-15-16-41(40(51)24-38)57-18-17-52-28-57)19-20-64-21-22-65-27-44(61)55-47(50(6,7)8)49(63)59-26-39(60)25-43(59)48(62)54-31(2)35-11-13-36(14-12-35)46-33(4)53-29-67-46;1-29-13-14-36(44-31(3)55-63-33(44)5)23-41(29)56(37-19-20-40(51-9)39(50)24-37)21-11-10-12-22-62-27-43(59)54-46(49(6,7)8)48(61)57-26-38(58)25-42(57)47(60)53-30(2)34-15-17-35(18-16-34)45-32(4)52-28-64-45/h14-21,24-25,29,31,40,44,48H,11-13,22-23,26-28H2,1-9H3,(H,55,62)(H,56,61);14-23,26,30,32,42,44,48H,11-13,24-25,27-29H2,1-10H3,(H,53,60)(H,54,59);9-18,23-24,28-29,31,39,43,47,60H,19-22,25-27H2,1-8H3,(H,54,62)(H,55,61);13-20,23-24,28,30,38,42,46,58H,10-12,21-22,25-27H2,1-8H3,(H,53,60)(H,54,59)/t31-,40+,44-,48+;32-,42+,44-,48+;31-,39+,43-,47+;30-,38+,42-,46+/m0000/s1
InChIKeyNXDAEJVIONGZEA-VEUSVSBHSA-N
XLogP36.93
TPSA657.66 Ų
H-Bond Donors10
H-Bond Acceptors46
Rotatable Bonds72
Heavy Atoms264
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003776.38
LogP ≤ 536.93
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1046

Analyze (2S,4R)-1-[(2S)-2-[[2-[2-[2-(3-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[5-(3-chloro-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-isocyanoanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;[(3R,5S)-1-[(2S)-2-[[2-[5-(3-chloro-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-isocyanoanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl] acetate;[(3R,5S)-1-[(2S)-2-[[2-[5-(N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methoxyanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl] acetate with MolForge

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Related Compounds

(2S,4R)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;2-[5-(3-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)pentoxy]acetic acid;(2S,4R)-1-[(2S)-2-[[2-[5-(3-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 167636795
(2S,4R)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;2-[7-(N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)heptoxy]acetic acid;(2S,4R)-1-[(2S)-2-[[2-[7-(N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)heptoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 167614992
[(3R,5S)-1-[(2S)-2-[[2-[5-[4-(2,4-dimethylimidazol-1-yl)-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]anilino]pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl] acetate
CID 164846413
(2S,4R)-1-[(2S)-2-[[2-[5-[4-[3-(3-chloro-N-ethyl-4-isocyanoanilino)-4-methylphenyl]-3,5-dimethylpyrazol-1-yl]pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 164846531
(2S)-1-[(2S)-2-[[2-[5-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-yl-3-(trifluoromethyl)anilino]pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 166996461
(2S,4R)-1-[(2S)-2-[[2-[4-[3-(3-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)propyl]piperidin-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;1-[4-[3-(3-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)propyl]piperidin-1-yl]propan-2-one;tert-butyl 2-bromoacetate;tert-butyl 4-[3-(3-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)propyl]piperidine-1-carboxylate;tert-butyl 4-butylpiperidine-1-carboxylate;tert-butyl 4-(3-hydroxypropyl)piperidine-1-carboxylate;deuterio(fluoro)methane;methanesulfonyl chloride
CID 167609921
9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[4-[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-oxoethoxy]propoxy]butoxy]carbazole-4-carboxamide
CID 126654620
sodium;[(3R,5S)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl] acetate;2-[2-[4-[(3-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)methyl]piperidin-1-yl]ethoxy]acetic acid;[(3R,5S)-1-[(2S)-2-[[2-[2-[4-[(3-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)methyl]piperidin-1-yl]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl] acetate;N-(3-bromo-4-imidazol-1-ylphenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-(piperidin-4-ylmethyl)aniline;N-(3-bromo-4-imidazol-1-ylphenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyridin-3-amine;tert-butyl 2-[2-[4-[(3-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)methyl]piperidin-1-yl]ethoxy]acetate;tert-butyl 4-(methylsulfonyloxymethyl)piperidine-1-carboxylate;tert-butyl 2-propoxyacetate;hydride;methane;2,2,2-trifluoroacetaldehyde
CID 167587317
methyl 5-[2-[[1-[(2S,4R)-4-hydroxy-2-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]pentanoate
CID 139578723
(2S,4R)-4-hydroxy-1-[(2S)-2-[[2-(2-methoxyethoxy)acetyl]amino]-3,3-dimethylbutanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 164812187
(2S,4R)-1-[(2S)-2-[[2-[5-(3-chloro-4-cyano-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-2,6-dimethylphenyl]anilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 164846491
2-[2-[2-[2-[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-oxoethoxy]ethoxy]ethoxy]ethoxy]ethyl-methylcarbamic acid
CID 139578972

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-[(2S)-2-[[2-[2-[2-(3-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[5-(3-chloro-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-isocyanoanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;[(3R,5S)-1-[(2S)-2-[[2-[5-(3-chloro-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-isocyanoanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl] acetate;[(3R,5S)-1-[(2S)-2-[[2-[5-(N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methoxyanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl] acetate?
The IUPAC name of (2S,4R)-1-[(2S)-2-[[2-[2-[2-(3-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[5-(3-chloro-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-isocyanoanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;[(3R,5S)-1-[(2S)-2-[[2-[5-(3-chloro-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-isocyanoanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl] acetate;[(3R,5S)-1-[(2S)-2-[[2-[5-(N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methoxyanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl] acetate (CID 167631750) is (2S,4R)-1-[(2S)-2-[[2-[2-[2-(3-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[5-(3-chloro-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-isocyanoanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;[(3R,5S)-1-[(2S)-2-[[2-[5-(3-chloro-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-isocyanoanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl] acetate;[(3R,5S)-1-[(2S)-2-[[2-[5-(N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methoxyanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl] acetate.
What is the SMILES notation for (2S,4R)-1-[(2S)-2-[[2-[2-[2-(3-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[5-(3-chloro-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-isocyanoanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;[(3R,5S)-1-[(2S)-2-[[2-[5-(3-chloro-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-isocyanoanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl] acetate;[(3R,5S)-1-[(2S)-2-[[2-[5-(N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methoxyanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl] acetate?
The canonical SMILES for (2S,4R)-1-[(2S)-2-[[2-[2-[2-(3-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[5-(3-chloro-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-isocyanoanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;[(3R,5S)-1-[(2S)-2-[[2-[5-(3-chloro-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-isocyanoanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl] acetate;[(3R,5S)-1-[(2S)-2-[[2-[5-(N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methoxyanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl] acetate is COc1ccc(N(CCCCCOCC(=O)N[C@H](C(=O)N2C[C@H](OC(C)=O)C[C@H]2C(=O)N[C@@H](C)c2ccc(-c3scnc3C)cc2)C(C)(C)C)c2cc(-c3c(C)noc3C)ccc2C)cc1.Cc1ccc(-c2c(C)noc2C)cc1N(CCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)c1ccc(-c2scnc2C)cc1)C(C)(C)C)c1ccc(-n2ccnc2)c(Br)c1.[C-]#[N+]c1ccc(N(CCCCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)c2ccc(-c3scnc3C)cc2)C(C)(C)C)c2cc(-c3c(C)noc3C)ccc2C)cc1Cl.[C-]#[N+]c1ccc(N(CCCCCOCC(=O)N[C@H](C(=O)N2C[C@H](OC(C)=O)C[C@H]2C(=O)N[C@@H](C)c2ccc(-c3scnc3C)cc2)C(C)(C)C)c2cc(-c3c(C)noc3C)ccc2C)cc1Cl.
What is the InChIKey of (2S,4R)-1-[(2S)-2-[[2-[2-[2-(3-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[5-(3-chloro-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-isocyanoanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;[(3R,5S)-1-[(2S)-2-[[2-[5-(3-chloro-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-isocyanoanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl] acetate;[(3R,5S)-1-[(2S)-2-[[2-[5-(N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methoxyanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl] acetate?
The InChIKey is NXDAEJVIONGZEA-VEUSVSBHSA-N. The full InChI is InChI=1S/C51H60ClN7O7S.C51H64N6O8S.C50H59BrN8O7S.C49H58ClN7O6S/c1-30-14-15-38(46-32(3)57-66-34(46)5)24-43(30)58(39-20-21-42(53-10)41(52)25-39)22-12-11-13-23-64-28-45(61)56-48(51(7,8)9)50(63)59-27-40(65-35(6)60)26-44(59)49(62)55-31(2)36-16-18-37(19-17-36)47-33(4)54-29-67-47;1-31-14-15-39(46-33(3)55-65-35(46)5)26-43(31)56(40-20-22-41(62-10)23-21-40)24-12-11-13-25-63-29-45(59)54-48(51(7,8)9)50(61)57-28-42(64-36(6)58)27-44(57)49(60)53-32(2)37-16-18-38(19-17-37)47-34(4)52-30-66-47;1-30-9-10-37(45-32(3)56-66-34(45)5)23-42(30)58(38-15-16-41(40(51)24-38)57-18-17-52-28-57)19-20-64-21-22-65-27-44(61)55-47(50(6,7)8)49(63)59-26-39(60)25-43(59)48(62)54-31(2)35-11-13-36(14-12-35)46-33(4)53-29-67-46;1-29-13-14-36(44-31(3)55-63-33(44)5)23-41(29)56(37-19-20-40(51-9)39(50)24-37)21-11-10-12-22-62-27-43(59)54-46(49(6,7)8)48(61)57-26-38(58)25-42(57)47(60)53-30(2)34-15-17-35(18-16-34)45-32(4)52-28-64-45/h14-21,24-25,29,31,40,44,48H,11-13,22-23,26-28H2,1-9H3,(H,55,62)(H,56,61);14-23,26,30,32,42,44,48H,11-13,24-25,27-29H2,1-10H3,(H,53,60)(H,54,59);9-18,23-24,28-29,31,39,43,47,60H,19-22,25-27H2,1-8H3,(H,54,62)(H,55,61);13-20,23-24,28,30,38,42,46,58H,10-12,21-22,25-27H2,1-8H3,(H,53,60)(H,54,59)/t31-,40+,44-,48+;32-,42+,44-,48+;31-,39+,43-,47+;30-,38+,42-,46+/m0000/s1.
What are the key properties of (2S,4R)-1-[(2S)-2-[[2-[2-[2-(3-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[5-(3-chloro-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-isocyanoanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;[(3R,5S)-1-[(2S)-2-[[2-[5-(3-chloro-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-isocyanoanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl] acetate;[(3R,5S)-1-[(2S)-2-[[2-[5-(N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methoxyanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl] acetate?
(2S,4R)-1-[(2S)-2-[[2-[2-[2-(3-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[5-(3-chloro-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-isocyanoanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;[(3R,5S)-1-[(2S)-2-[[2-[5-(3-chloro-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-isocyanoanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl] acetate;[(3R,5S)-1-[(2S)-2-[[2-[5-(N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methoxyanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl] acetate has a molecular weight of 3776.38 g/mol, XLogP of 36.93, 72 rotatable bonds, 10 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-[(2S)-2-[[2-[2-[2-(3-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[5-(3-chloro-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-isocyanoanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;[(3R,5S)-1-[(2S)-2-[[2-[5-(3-chloro-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-isocyanoanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl] acetate;[(3R,5S)-1-[(2S)-2-[[2-[5-(N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methoxyanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl] acetate is sourced from PubChem (CID 167631750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).