methyl (3S)-3-[(2S)-2-[4-[4-[4-[2-[(1S,2R,3R,4R)-3-[(6-fluoro-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidine-1-carbonyl]-4-methylpentanoate;methyl N-[(2S)-1-[(2S)-2-[4-[4-[4-[2-[(1S,3R,4R)-3-[(2-fluoro-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-[4-[4-[2-[(1S,3R,4R)-3-(pyrazin-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-[4-[4-[2-[(1S,2R,3R,4R)-3-(1,3-thiazol-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate

C178H196F2N24O16S — CID 158795047

About methyl (3S)-3-[(2S)-2-[4-[4-[4-[2-[(1S,2R,3R,4R)-3-[(6-fluoro-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidine-1-carbonyl]-4-methylpentanoate;methyl N-[(2S)-1-[(2S)-2-[4-[4-[4-[2-[(1S,3R,4R)-3-[(2-fluoro-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-[4-[4-[2-[(1S,3R,4R)-3-(pyrazin-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-[4-[4-[2-[(1S,2R,3R,4R)-3-(1,3-thiazol-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate

methyl (3S)-3-[(2S)-2-[4-[4-[4-[2-[(1S,2R,3R,4R)-3-[(6-fluoro-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidine-1-carbonyl]-4-methylpentanoate;methyl N-[(2S)-1-[(2S)-2-[4-[4-[4-[2-[(1S,3R,4R)-3-[(2-fluoro-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-[4-[4-[2-[(1S,3R,4R)-3-(pyrazin-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-[4-[4-[2-[(1S,2R,3R,4R)-3-(1,3-thiazol-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate (PubChem CID 158795047) has the molecular formula C178H196F2N24O16S and a molecular weight of 2997.74 g/mol. Its IUPAC name is methyl (3S)-3-[(2S)-2-[4-[4-[4-[2-[(1S,2R,3R,4R)-3-[(6-fluoro-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidine-1-carbonyl]-4-methylpentanoate;methyl N-[(2S)-1-[(2S)-2-[4-[4-[4-[2-[(1S,3R,4R)-3-[(2-fluoro-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-[4-[4-[2-[(1S,3R,4R)-3-(pyrazin-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-[4-[4-[2-[(1S,2R,3R,4R)-3-(1,3-thiazol-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate.

Molecular Properties

• Compound Name: methyl (3S)-3-[(2S)-2-[4-[4-[4-[2-[(1S,2R,3R,4R)-3-[(6-fluoro-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidine-1-carbonyl]-4-methylpentanoate;methyl N-[(2S)-1-[(2S)-2-[4-[4-[4-[2-[(1S,3R,4R)-3-[(2-fluoro-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-[4-[4-[2-[(1S,3R,4R)-3-(pyrazin-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-[4-[4-[2-[(1S,2R,3R,4R)-3-(1,3-thiazol-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate
• PubChem CID: 158795047
• Molecular Formula: C178H196F2N24O16S
• Molecular Weight: 2997.74 g/mol
• Exact Mass: 2995.49
• IUPAC Name: methyl (3S)-3-[(2S)-2-[4-[4-[4-[2-[(1S,2R,3R,4R)-3-[(6-fluoro-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidine-1-carbonyl]-4-methylpentanoate;methyl N-[(2S)-1-[(2S)-2-[4-[4-[4-[2-[(1S,3R,4R)-3-[(2-fluoro-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-[4-[4-[2-[(1S,3R,4R)-3-(pyrazin-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-[4-[4-[2-[(1S,2R,3R,4R)-3-(1,3-thiazol-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate
• SMILES: COC(=O)C[C@H](C(=O)N1CCC[C@H]1C1=NC=C(c2ccc(-c3ccc(C4=CN=C([C@@H]5[C@H]6CC[C@H](C6)[C@H]5C(=O)NCc5ccc(F)nc5)C4)cc3)cc2)C1)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC=C(c2ccc(-c3ccc(C4=CN=C(C5[C@H]6CC[C@H](C6)[C@H]5C(=O)NCc5cccnc5F)C4)cc3)cc2)C1)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC=C(c2ccc(-c3ccc(C4=CN=C(C5[C@H]6CC[C@H](C6)[C@H]5C(=O)NCc5cnccn5)C4)cc3)cc2)C1)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC=C(c2ccc(-c3ccc(C4=CN=C([C@@H]5[C@H]6CC[C@H](C6)[C@H]5C(=O)NCc5nccs5)C4)cc3)cc2)C1)C(C)C
• InChI: InChI=1S/C46H50FN5O4.C45H49FN6O4.C44H49N7O4.C43H48N6O4S/c1-27(2)37(22-42(53)56-3)46(55)52-18-4-5-40(52)38-20-35(25-48-38)31-11-7-29(8-12-31)30-9-13-32(14-10-30)36-21-39(49-26-36)43-33-15-16-34(19-33)44(43)45(54)51-24-28-6-17-41(47)50-23-28;1-26(2)41(51-45(55)56-3)44(54)52-19-5-7-38(52)36-21-34(24-48-36)29-12-8-27(9-13-29)28-10-14-30(15-11-28)35-22-37(49-25-35)39-31-16-17-32(20-31)40(39)43(53)50-23-33-6-4-18-47-42(33)46;1-26(2)41(50-44(54)55-3)43(53)51-18-4-5-38(51)36-20-33(22-47-36)29-10-6-27(7-11-29)28-8-12-30(13-9-28)34-21-37(48-23-34)39-31-14-15-32(19-31)40(39)42(52)49-25-35-24-45-16-17-46-35;1-25(2)40(48-43(52)53-3)42(51)49-17-4-5-36(49)34-20-32(22-45-34)28-10-6-26(7-11-28)27-8-12-29(13-9-27)33-21-35(46-23-33)38-30-14-15-31(19-30)39(38)41(50)47-24-37-44-16-18-54-37/h6-14,17,23,25-27,33-34,37,40,43-44H,4-5,15-16,18-22,24H2,1-3H3,(H,51,54);4,6,8-15,18,24-26,31-32,38-41H,5,7,16-17,19-23H2,1-3H3,(H,50,53)(H,51,55);6-13,16-17,22-24,26,31-32,38-41H,4-5,14-15,18-21,25H2,1-3H3,(H,49,52)(H,50,54);6-13,16,18,22-23,25,30-31,36,38-40H,4-5,14-15,17,19-21,24H2,1-3H3,(H,47,50)(H,48,52)/t33-,34+,37-,40-,43-,44+;2*31-,32+,38-,39?,40+,41-;30-,31+,36-,38-,39+,40-/m0000/s1
• InChIKey: ISTKYFKUAVXXLH-IPVIRFSQSA-N
• XLogP: 30.07
• TPSA: 502.26 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 45
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2997.74
LogP ≤ 5	30.07
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-[(2S)-2-[4-[4-[4-[2-[(1S,2R,3R,4R)-3-[(6-fluoro-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidine-1-carbonyl]-4-methylpentanoate;methyl N-[(2S)-1-[(2S)-2-[4-[4-[4-[2-[(1S,3R,4R)-3-[(2-fluoro-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-[4-[4-[2-[(1S,3R,4R)-3-(pyrazin-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-[4-[4-[2-[(1S,2R,3R,4R)-3-(1,3-thiazol-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate?

The IUPAC name of methyl (3S)-3-[(2S)-2-[4-[4-[4-[2-[(1S,2R,3R,4R)-3-[(6-fluoro-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidine-1-carbonyl]-4-methylpentanoate;methyl N-[(2S)-1-[(2S)-2-[4-[4-[4-[2-[(1S,3R,4R)-3-[(2-fluoro-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-[4-[4-[2-[(1S,3R,4R)-3-(pyrazin-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-[4-[4-[2-[(1S,2R,3R,4R)-3-(1,3-thiazol-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate (CID 158795047) is methyl (3S)-3-[(2S)-2-[4-[4-[4-[2-[(1S,2R,3R,4R)-3-[(6-fluoro-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidine-1-carbonyl]-4-methylpentanoate;methyl N-[(2S)-1-[(2S)-2-[4-[4-[4-[2-[(1S,3R,4R)-3-[(2-fluoro-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-[4-[4-[2-[(1S,3R,4R)-3-(pyrazin-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-[4-[4-[2-[(1S,2R,3R,4R)-3-(1,3-thiazol-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate.

What is the SMILES notation for methyl (3S)-3-[(2S)-2-[4-[4-[4-[2-[(1S,2R,3R,4R)-3-[(6-fluoro-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidine-1-carbonyl]-4-methylpentanoate;methyl N-[(2S)-1-[(2S)-2-[4-[4-[4-[2-[(1S,3R,4R)-3-[(2-fluoro-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-[4-[4-[2-[(1S,3R,4R)-3-(pyrazin-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-[4-[4-[2-[(1S,2R,3R,4R)-3-(1,3-thiazol-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate?

The canonical SMILES for methyl (3S)-3-[(2S)-2-[4-[4-[4-[2-[(1S,2R,3R,4R)-3-[(6-fluoro-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidine-1-carbonyl]-4-methylpentanoate;methyl N-[(2S)-1-[(2S)-2-[4-[4-[4-[2-[(1S,3R,4R)-3-[(2-fluoro-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-[4-[4-[2-[(1S,3R,4R)-3-(pyrazin-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-[4-[4-[2-[(1S,2R,3R,4R)-3-(1,3-thiazol-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate is COC(=O)C[C@H](C(=O)N1CCC[C@H]1C1=NC=C(c2ccc(-c3ccc(C4=CN=C([C@@H]5[C@H]6CC[C@H](C6)[C@H]5C(=O)NCc5ccc(F)nc5)C4)cc3)cc2)C1)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC=C(c2ccc(-c3ccc(C4=CN=C(C5[C@H]6CC[C@H](C6)[C@H]5C(=O)NCc5cccnc5F)C4)cc3)cc2)C1)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC=C(c2ccc(-c3ccc(C4=CN=C(C5[C@H]6CC[C@H](C6)[C@H]5C(=O)NCc5cnccn5)C4)cc3)cc2)C1)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC=C(c2ccc(-c3ccc(C4=CN=C([C@@H]5[C@H]6CC[C@H](C6)[C@H]5C(=O)NCc5nccs5)C4)cc3)cc2)C1)C(C)C.

What is the InChIKey of methyl (3S)-3-[(2S)-2-[4-[4-[4-[2-[(1S,2R,3R,4R)-3-[(6-fluoro-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidine-1-carbonyl]-4-methylpentanoate;methyl N-[(2S)-1-[(2S)-2-[4-[4-[4-[2-[(1S,3R,4R)-3-[(2-fluoro-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-[4-[4-[2-[(1S,3R,4R)-3-(pyrazin-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-[4-[4-[2-[(1S,2R,3R,4R)-3-(1,3-thiazol-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate?

The InChIKey is ISTKYFKUAVXXLH-IPVIRFSQSA-N. The full InChI is InChI=1S/C46H50FN5O4.C45H49FN6O4.C44H49N7O4.C43H48N6O4S/c1-27(2)37(22-42(53)56-3)46(55)52-18-4-5-40(52)38-20-35(25-48-38)31-11-7-29(8-12-31)30-9-13-32(14-10-30)36-21-39(49-26-36)43-33-15-16-34(19-33)44(43)45(54)51-24-28-6-17-41(47)50-23-28;1-26(2)41(51-45(55)56-3)44(54)52-19-5-7-38(52)36-21-34(24-48-36)29-12-8-27(9-13-29)28-10-14-30(15-11-28)35-22-37(49-25-35)39-31-16-17-32(20-31)40(39)43(53)50-23-33-6-4-18-47-42(33)46;1-26(2)41(50-44(54)55-3)43(53)51-18-4-5-38(51)36-20-33(22-47-36)29-10-6-27(7-11-29)28-8-12-30(13-9-28)34-21-37(48-23-34)39-31-14-15-32(19-31)40(39)42(52)49-25-35-24-45-16-17-46-35;1-25(2)40(48-43(52)53-3)42(51)49-17-4-5-36(49)34-20-32(22-45-34)28-10-6-26(7-11-28)27-8-12-29(13-9-27)33-21-35(46-23-33)38-30-14-15-31(19-30)39(38)41(50)47-24-37-44-16-18-54-37/h6-14,17,23,25-27,33-34,37,40,43-44H,4-5,15-16,18-22,24H2,1-3H3,(H,51,54);4,6,8-15,18,24-26,31-32,38-41H,5,7,16-17,19-23H2,1-3H3,(H,50,53)(H,51,55);6-13,16-17,22-24,26,31-32,38-41H,4-5,14-15,18-21,25H2,1-3H3,(H,49,52)(H,50,54);6-13,16,18,22-23,25,30-31,36,38-40H,4-5,14-15,17,19-21,24H2,1-3H3,(H,47,50)(H,48,52)/t33-,34+,37-,40-,43-,44+;2*31-,32+,38-,39?,40+,41-;30-,31+,36-,38-,39+,40-/m0000/s1.

What are the key properties of methyl (3S)-3-[(2S)-2-[4-[4-[4-[2-[(1S,2R,3R,4R)-3-[(6-fluoro-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidine-1-carbonyl]-4-methylpentanoate;methyl N-[(2S)-1-[(2S)-2-[4-[4-[4-[2-[(1S,3R,4R)-3-[(2-fluoro-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-[4-[4-[2-[(1S,3R,4R)-3-(pyrazin-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-[4-[4-[2-[(1S,2R,3R,4R)-3-(1,3-thiazol-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate?

methyl (3S)-3-[(2S)-2-[4-[4-[4-[2-[(1S,2R,3R,4R)-3-[(6-fluoro-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidine-1-carbonyl]-4-methylpentanoate;methyl N-[(2S)-1-[(2S)-2-[4-[4-[4-[2-[(1S,3R,4R)-3-[(2-fluoro-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-[4-[4-[2-[(1S,3R,4R)-3-(pyrazin-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-[4-[4-[2-[(1S,2R,3R,4R)-3-(1,3-thiazol-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate has a molecular weight of 2997.74 g/mol, XLogP of 30.07, 45 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (3S)-3-[(2S)-2-[4-[4-[4-[2-[(1S,2R,3R,4R)-3-[(6-fluoro-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidine-1-carbonyl]-4-methylpentanoate;methyl N-[(2S)-1-[(2S)-2-[4-[4-[4-[2-[(1S,3R,4R)-3-[(2-fluoro-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-[4-[4-[2-[(1S,3R,4R)-3-(pyrazin-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-[4-[4-[2-[(1S,2R,3R,4R)-3-(1,3-thiazol-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate is sourced from PubChem (CID 158795047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).