[(3R,5S)-1-[(2S)-2-[[2-[5-[4-cyano-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-3-(trifluoromethyl)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;bis((2S,4R)-1-[(2S)-2-[[2-[6-(N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)hexoxy]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-(N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methylanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide

C205H250F3N29O25S4 — CID 167582515

About [(3R,5S)-1-[(2S)-2-[[2-[5-[4-cyano-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-3-(trifluoromethyl)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;bis((2S,4R)-1-[(2S)-2-[[2-[6-(N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)hexoxy]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-(N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methylanilino)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-[4-cyano-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-3-(trifluoromethyl)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;bis((2S,4R)-1-[(2S)-2-[[2-[6-(N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)hexoxy]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-(N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methylanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide (PubChem CID 167582515) has the molecular formula C205H250F3N29O25S4 and a molecular weight of 3705.69 g/mol. Its IUPAC name is [(3R,5S)-1-[(2S)-2-[[2-[5-[4-cyano-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-3-(trifluoromethyl)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;bis((2S,4R)-1-[(2S)-2-[[2-[6-(N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)hexoxy]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-(N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methylanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: [(3R,5S)-1-[(2S)-2-[[2-[5-[4-cyano-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-3-(trifluoromethyl)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;bis((2S,4R)-1-[(2S)-2-[[2-[6-(N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)hexoxy]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-(N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methylanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
• PubChem CID: 167582515
• Molecular Formula: C205H250F3N29O25S4
• Molecular Weight: 3705.69 g/mol
• Exact Mass: 3702.80
• IUPAC Name: [(3R,5S)-1-[(2S)-2-[[2-[5-[4-cyano-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-3-(trifluoromethyl)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;bis((2S,4R)-1-[(2S)-2-[[2-[6-(N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)hexoxy]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-(N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methylanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
• SMILES: CC(=O)O[C@@H]1C[C@@H](C(=O)N[C@@H](C)c2ccc(-c3scnc3C)cc2)N(C(=O)[C@@H](NC(=O)COCCCCCN(c2ccc(C#N)c(C(F)(F)F)c2)c2cc(-c3c(C)noc3C)ccc2C)C(C)(C)C)C1.Cc1ccc(-c2c(C)noc2C)cc1N(CCCCCCOCC(=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)cc1.Cc1ccc(-c2c(C)noc2C)cc1N(CCCCCCOCC(=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)cc1.Cc1ccc(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)cc1
• InChI: InChI=1S/C52H60F3N7O7S.2C52H64N8O6S.C49H62N6O6S/c1-30-13-14-38(46-32(3)60-69-34(46)5)23-43(30)61(40-20-19-39(26-56)42(24-40)52(53,54)55)21-11-10-12-22-67-28-45(64)59-48(51(7,8)9)50(66)62-27-41(68-35(6)63)25-44(62)49(65)58-31(2)36-15-17-37(18-16-36)47-33(4)57-29-70-47;2*1-33-13-14-40(47-35(3)57-66-37(47)5)27-44(33)59(42-21-19-41(20-22-42)58-25-23-53-31-58)24-11-9-10-12-26-65-30-46(62)56-49(52(6,7)8)51(64)60-29-43(61)28-45(60)50(63)55-34(2)38-15-17-39(18-16-38)48-36(4)54-32-67-48;1-30-13-21-39(22-14-30)54(41-25-38(16-15-31(41)2)44-33(4)53-61-35(44)6)23-11-10-12-24-60-28-43(57)52-46(49(7,8)9)48(59)55-27-40(56)26-42(55)47(58)51-32(3)36-17-19-37(20-18-36)45-34(5)50-29-62-45/h13-20,23-24,29,31,41,44,48H,10-12,21-22,25,27-28H2,1-9H3,(H,58,65)(H,59,64);2*13-23,25,27,31-32,34,43,45,49,61H,9-12,24,26,28-30H2,1-8H3,(H,55,63)(H,56,62);13-22,25,29,32,40,42,46,56H,10-12,23-24,26-28H2,1-9H3,(H,51,58)(H,52,57)/t31-,41+,44-,48+;2*34-,43+,45-,49+;32-,40+,42-,46+/m0000/s1
• InChIKey: HJDOYCGEMUGJJA-MEPQUNLESA-N
• XLogP: 36.50
• TPSA: 666.02 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 46
• Rotatable Bonds: 73
• Heavy Atoms: 266
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3705.69
LogP ≤ 5	36.50
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	46

Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-1-[(2S)-2-[[2-[5-[4-cyano-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-3-(trifluoromethyl)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;bis((2S,4R)-1-[(2S)-2-[[2-[6-(N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)hexoxy]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-(N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methylanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide?

The IUPAC name of [(3R,5S)-1-[(2S)-2-[[2-[5-[4-cyano-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-3-(trifluoromethyl)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;bis((2S,4R)-1-[(2S)-2-[[2-[6-(N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)hexoxy]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-(N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methylanilino)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 167582515) is [(3R,5S)-1-[(2S)-2-[[2-[5-[4-cyano-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-3-(trifluoromethyl)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;bis((2S,4R)-1-[(2S)-2-[[2-[6-(N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)hexoxy]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-(N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methylanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for [(3R,5S)-1-[(2S)-2-[[2-[5-[4-cyano-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-3-(trifluoromethyl)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;bis((2S,4R)-1-[(2S)-2-[[2-[6-(N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)hexoxy]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-(N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methylanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide?

The canonical SMILES for [(3R,5S)-1-[(2S)-2-[[2-[5-[4-cyano-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-3-(trifluoromethyl)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;bis((2S,4R)-1-[(2S)-2-[[2-[6-(N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)hexoxy]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-(N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methylanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide is CC(=O)O[C@@H]1C[C@@H](C(=O)N[C@@H](C)c2ccc(-c3scnc3C)cc2)N(C(=O)[C@@H](NC(=O)COCCCCCN(c2ccc(C#N)c(C(F)(F)F)c2)c2cc(-c3c(C)noc3C)ccc2C)C(C)(C)C)C1.Cc1ccc(-c2c(C)noc2C)cc1N(CCCCCCOCC(=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)cc1.Cc1ccc(-c2c(C)noc2C)cc1N(CCCCCCOCC(=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)cc1.Cc1ccc(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)cc1.

What is the InChIKey of [(3R,5S)-1-[(2S)-2-[[2-[5-[4-cyano-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-3-(trifluoromethyl)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;bis((2S,4R)-1-[(2S)-2-[[2-[6-(N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)hexoxy]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-(N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methylanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide?

The InChIKey is HJDOYCGEMUGJJA-MEPQUNLESA-N. The full InChI is InChI=1S/C52H60F3N7O7S.2C52H64N8O6S.C49H62N6O6S/c1-30-13-14-38(46-32(3)60-69-34(46)5)23-43(30)61(40-20-19-39(26-56)42(24-40)52(53,54)55)21-11-10-12-22-67-28-45(64)59-48(51(7,8)9)50(66)62-27-41(68-35(6)63)25-44(62)49(65)58-31(2)36-15-17-37(18-16-36)47-33(4)57-29-70-47;2*1-33-13-14-40(47-35(3)57-66-37(47)5)27-44(33)59(42-21-19-41(20-22-42)58-25-23-53-31-58)24-11-9-10-12-26-65-30-46(62)56-49(52(6,7)8)51(64)60-29-43(61)28-45(60)50(63)55-34(2)38-15-17-39(18-16-38)48-36(4)54-32-67-48;1-30-13-21-39(22-14-30)54(41-25-38(16-15-31(41)2)44-33(4)53-61-35(44)6)23-11-10-12-24-60-28-43(57)52-46(49(7,8)9)48(59)55-27-40(56)26-42(55)47(58)51-32(3)36-17-19-37(20-18-36)45-34(5)50-29-62-45/h13-20,23-24,29,31,41,44,48H,10-12,21-22,25,27-28H2,1-9H3,(H,58,65)(H,59,64);2*13-23,25,27,31-32,34,43,45,49,61H,9-12,24,26,28-30H2,1-8H3,(H,55,63)(H,56,62);13-22,25,29,32,40,42,46,56H,10-12,23-24,26-28H2,1-9H3,(H,51,58)(H,52,57)/t31-,41+,44-,48+;2*34-,43+,45-,49+;32-,40+,42-,46+/m0000/s1.

What are the key properties of [(3R,5S)-1-[(2S)-2-[[2-[5-[4-cyano-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-3-(trifluoromethyl)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;bis((2S,4R)-1-[(2S)-2-[[2-[6-(N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)hexoxy]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-(N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methylanilino)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-[4-cyano-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-3-(trifluoromethyl)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;bis((2S,4R)-1-[(2S)-2-[[2-[6-(N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)hexoxy]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-(N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methylanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide has a molecular weight of 3705.69 g/mol, XLogP of 36.50, 73 rotatable bonds, 11 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R,5S)-1-[(2S)-2-[[2-[5-[4-cyano-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-3-(trifluoromethyl)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;bis((2S,4R)-1-[(2S)-2-[[2-[6-(N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)hexoxy]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-(N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methylanilino)pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 167582515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).