methyl N-[(2S,3R)-1-[(2S)-2-[4-[4-[4-[2-[(3S)-3-[(4-aminophenyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-(furan-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-(2-hydroxyethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-[(6-methoxy-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-[(2S)-2-[5-[4-[4-[2-[(3R)-3-[(6-methoxy-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-[(2-propan-2-yl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(3R)-3-[(2-propan-2-yl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(3R)-3-(pyridin-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate

C357H409N53O44 — CID 157343684

IUPACmethyl N-[(2S,3R)-1-[(2S)-2-[4-[4-[4-[2-[(3S)-3-[(4-aminophenyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-(furan-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-(2-hydroxyethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-[(6-methoxy-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-[(2S)-2-[5-[4-[4-[2-[(3R)-3-[(6-methoxy-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-[(2-propan-2-yl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(3R)-3-[(2-propan-2-yl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(3R)-3-(pyridin-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate
SMILESCOC(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC=C(c2ccc(-c3ccc(C4=CN=C(C5C6CCC(C6)[C@@H]5C(=O)NCc5ccc(N)cc5)C4)cc3)cc2)C1)[C@@H](C)OC.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(C4=CN=C(C5C6CCC(C6)[C@@H]5C(=O)NCCO)C4)cc3)cc2)[nH]1)[C@@H](C)OC.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(C4=CN=C(C5C6CCC(C6)[C@@H]5C(=O)NCc5ccc(OC)nc5)C4)cc3)cc2)[nH]1)[C@@H](C)OC.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(C4=CN=C(C5C6CCC(C6)[C@@H]5C(=O)NCc5cccnc5C(C)C)C4)cc3)cc2)[nH]1)[C@@H](C)OC.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(C4=CN=C(C5C6CCC(C6)[C@@H]5C(=O)NCc5ccco5)C4)cc3)cc2)[nH]1)[C@@H](C)OC.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(C4=CN=C(C5C6CCC(C6)[C@H]5C(=O)NCc5ccc(OC)nc5)C4)cc3)cc2)[nH]1)[C@@H](C)OC.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(C4=CN=C(C5C6CCC(C6)[C@H]5C(=O)NCc5ccccn5)C4)cc3)cc2)[nH]1)[C@@H](C)OC.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(C4=CN=C(C5C6CCC(C6)[C@H]5C(=O)NCc5cccnc5C(C)C)C4)cc3)cc2)[nH]1)[C@@H](C)OC
InChIInChI=1S/2C47H55N7O5.C46H52N6O5.2C45H51N7O6.C44H49N7O5.C43H48N6O6.C40H48N6O6/c2*1-27(2)42-35(8-6-20-48-42)24-51-45(55)41-34-19-18-33(22-34)40(41)37-23-36(25-49-37)31-12-10-29(11-13-31)30-14-16-32(17-15-30)38-26-50-44(52-38)39-9-7-21-54(39)46(56)43(28(3)58-4)53-47(57)59-5;1-27(56-2)43(51-46(55)57-3)45(54)52-20-4-5-40(52)38-22-35(25-48-38)31-12-8-29(9-13-31)30-10-14-32(15-11-30)36-23-39(49-26-36)41-33-16-17-34(21-33)42(41)44(53)50-24-28-6-18-37(47)19-7-28;2*1-26(56-2)41(51-45(55)58-4)44(54)52-19-5-6-37(52)42-48-25-36(50-42)31-14-12-29(13-15-31)28-8-10-30(11-9-28)34-21-35(46-24-34)39-32-16-17-33(20-32)40(39)43(53)49-23-27-7-18-38(57-3)47-22-27;1-26(55-2)40(50-44(54)56-3)43(53)51-20-6-8-37(51)41-47-25-36(49-41)30-15-13-28(14-16-30)27-9-11-29(12-10-27)33-22-35(46-23-33)38-31-17-18-32(21-31)39(38)42(52)48-24-34-7-4-5-19-45-34;1-25(53-2)39(48-43(52)54-3)42(51)49-18-4-7-36(49)40-45-24-35(47-40)29-14-12-27(13-15-29)26-8-10-28(11-9-26)32-21-34(44-22-32)37-30-16-17-31(20-30)38(37)41(50)46-23-33-6-5-19-55-33;1-23(51-2)36(45-40(50)52-3)39(49)46-17-4-5-33(46)37-43-22-32(44-37)27-12-10-25(11-13-27)24-6-8-26(9-7-24)30-20-31(42-21-30)34-28-14-15-29(19-28)35(34)38(48)41-16-18-47/h2*6,8,10-17,20,25-28,33-34,39-41,43H,7,9,18-19,21-24H2,1-5H3,(H,50,52)(H,51,55)(H,53,57);6-15,18-19,25-27,33-34,40-43H,4-5,16-17,20-24,47H2,1-3H3,(H,50,53)(H,51,55);2*7-15,18,22,24-26,32-33,37,39-41H,5-6,16-17,19-21,23H2,1-4H3,(H,48,50)(H,49,53)(H,51,55);4-5,7,9-16,19,23,25-26,31-32,37-40H,6,8,17-18,20-22,24H2,1-3H3,(H,47,49)(H,48,52)(H,50,54);5-6,8-15,19,22,24-25,30-31,36-39H,4,7,16-18,20-21,23H2,1-3H3,(H,45,47)(H,46,50)(H,48,52);6-13,21-23,28-29,33-36,47H,4-5,14-20H2,1-3H3,(H,41,48)(H,43,44)(H,45,50)/t28-,33?,34?,39+,40?,41+,43+;28-,33?,34?,39+,40?,41-,43+;27-,33?,34?,40+,41?,42+,43+;26-,32?,33?,37+,39?,40+,41+;26-,32?,33?,37+,39?,40-,41+;26-,31?,32?,37+,38?,39-,40+;25-,30?,31?,36+,37?,38+,39+;23-,28?,29?,33+,34?,35+,36+/m11111111/s1
InChIKeyBGRWBUSHSDNTHJ-FANWASSJSA-N
MW6146.53 g/mol
LogP54.98
Rot. Bonds100

About methyl N-[(2S,3R)-1-[(2S)-2-[4-[4-[4-[2-[(3S)-3-[(4-aminophenyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-(furan-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-(2-hydroxyethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-[(6-methoxy-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-[(2S)-2-[5-[4-[4-[2-[(3R)-3-[(6-methoxy-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-[(2-propan-2-yl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(3R)-3-[(2-propan-2-yl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(3R)-3-(pyridin-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate

methyl N-[(2S,3R)-1-[(2S)-2-[4-[4-[4-[2-[(3S)-3-[(4-aminophenyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-(furan-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-(2-hydroxyethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-[(6-methoxy-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-[(2S)-2-[5-[4-[4-[2-[(3R)-3-[(6-methoxy-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-[(2-propan-2-yl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(3R)-3-[(2-propan-2-yl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(3R)-3-(pyridin-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate (PubChem CID 157343684) has the molecular formula C357H409N53O44 and a molecular weight of 6146.53 g/mol. Its IUPAC name is methyl N-[(2S,3R)-1-[(2S)-2-[4-[4-[4-[2-[(3S)-3-[(4-aminophenyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-(furan-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-(2-hydroxyethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-[(6-methoxy-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-[(2S)-2-[5-[4-[4-[2-[(3R)-3-[(6-methoxy-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-[(2-propan-2-yl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(3R)-3-[(2-propan-2-yl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(3R)-3-(pyridin-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2S,3R)-1-[(2S)-2-[4-[4-[4-[2-[(3S)-3-[(4-aminophenyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-(furan-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-(2-hydroxyethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-[(6-methoxy-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-[(2S)-2-[5-[4-[4-[2-[(3R)-3-[(6-methoxy-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-[(2-propan-2-yl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(3R)-3-[(2-propan-2-yl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(3R)-3-(pyridin-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate
PubChem CID157343684
Molecular FormulaC357H409N53O44
Molecular Weight6146.53 g/mol
Exact Mass6142.14
IUPAC Namemethyl N-[(2S,3R)-1-[(2S)-2-[4-[4-[4-[2-[(3S)-3-[(4-aminophenyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-(furan-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-(2-hydroxyethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-[(6-methoxy-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-[(2S)-2-[5-[4-[4-[2-[(3R)-3-[(6-methoxy-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-[(2-propan-2-yl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(3R)-3-[(2-propan-2-yl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(3R)-3-(pyridin-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate
SMILESCOC(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC=C(c2ccc(-c3ccc(C4=CN=C(C5C6CCC(C6)[C@@H]5C(=O)NCc5ccc(N)cc5)C4)cc3)cc2)C1)[C@@H](C)OC.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(C4=CN=C(C5C6CCC(C6)[C@@H]5C(=O)NCCO)C4)cc3)cc2)[nH]1)[C@@H](C)OC.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(C4=CN=C(C5C6CCC(C6)[C@@H]5C(=O)NCc5ccc(OC)nc5)C4)cc3)cc2)[nH]1)[C@@H](C)OC.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(C4=CN=C(C5C6CCC(C6)[C@@H]5C(=O)NCc5cccnc5C(C)C)C4)cc3)cc2)[nH]1)[C@@H](C)OC.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(C4=CN=C(C5C6CCC(C6)[C@@H]5C(=O)NCc5ccco5)C4)cc3)cc2)[nH]1)[C@@H](C)OC.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(C4=CN=C(C5C6CCC(C6)[C@H]5C(=O)NCc5ccc(OC)nc5)C4)cc3)cc2)[nH]1)[C@@H](C)OC.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(C4=CN=C(C5C6CCC(C6)[C@H]5C(=O)NCc5ccccn5)C4)cc3)cc2)[nH]1)[C@@H](C)OC.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(C4=CN=C(C5C6CCC(C6)[C@H]5C(=O)NCc5cccnc5C(C)C)C4)cc3)cc2)[nH]1)[C@@H](C)OC
InChIInChI=1S/2C47H55N7O5.C46H52N6O5.2C45H51N7O6.C44H49N7O5.C43H48N6O6.C40H48N6O6/c2*1-27(2)42-35(8-6-20-48-42)24-51-45(55)41-34-19-18-33(22-34)40(41)37-23-36(25-49-37)31-12-10-29(11-13-31)30-14-16-32(17-15-30)38-26-50-44(52-38)39-9-7-21-54(39)46(56)43(28(3)58-4)53-47(57)59-5;1-27(56-2)43(51-46(55)57-3)45(54)52-20-4-5-40(52)38-22-35(25-48-38)31-12-8-29(9-13-31)30-10-14-32(15-11-30)36-23-39(49-26-36)41-33-16-17-34(21-33)42(41)44(53)50-24-28-6-18-37(47)19-7-28;2*1-26(56-2)41(51-45(55)58-4)44(54)52-19-5-6-37(52)42-48-25-36(50-42)31-14-12-29(13-15-31)28-8-10-30(11-9-28)34-21-35(46-24-34)39-32-16-17-33(20-32)40(39)43(53)49-23-27-7-18-38(57-3)47-22-27;1-26(55-2)40(50-44(54)56-3)43(53)51-20-6-8-37(51)41-47-25-36(49-41)30-15-13-28(14-16-30)27-9-11-29(12-10-27)33-22-35(46-23-33)38-31-17-18-32(21-31)39(38)42(52)48-24-34-7-4-5-19-45-34;1-25(53-2)39(48-43(52)54-3)42(51)49-18-4-7-36(49)40-45-24-35(47-40)29-14-12-27(13-15-29)26-8-10-28(11-9-26)32-21-34(44-22-32)37-30-16-17-31(20-30)38(37)41(50)46-23-33-6-5-19-55-33;1-23(51-2)36(45-40(50)52-3)39(49)46-17-4-5-33(46)37-43-22-32(44-37)27-12-10-25(11-13-27)24-6-8-26(9-7-24)30-20-31(42-21-30)34-28-14-15-29(19-28)35(34)38(48)41-16-18-47/h2*6,8,10-17,20,25-28,33-34,39-41,43H,7,9,18-19,21-24H2,1-5H3,(H,50,52)(H,51,55)(H,53,57);6-15,18-19,25-27,33-34,40-43H,4-5,16-17,20-24,47H2,1-3H3,(H,50,53)(H,51,55);2*7-15,18,22,24-26,32-33,37,39-41H,5-6,16-17,19-21,23H2,1-4H3,(H,48,50)(H,49,53)(H,51,55);4-5,7,9-16,19,23,25-26,31-32,37-40H,6,8,17-18,20-22,24H2,1-3H3,(H,47,49)(H,48,52)(H,50,54);5-6,8-15,19,22,24-25,30-31,36-39H,4,7,16-18,20-21,23H2,1-3H3,(H,45,47)(H,46,50)(H,48,52);6-13,21-23,28-29,33-36,47H,4-5,14-20H2,1-3H3,(H,41,48)(H,43,44)(H,45,50)/t28-,33?,34?,39+,40?,41+,43+;28-,33?,34?,39+,40?,41-,43+;27-,33?,34?,40+,41?,42+,43+;26-,32?,33?,37+,39?,40+,41+;26-,32?,33?,37+,39?,40-,41+;26-,31?,32?,37+,38?,39-,40+;25-,30?,31?,36+,37?,38+,39+;23-,28?,29?,33+,34?,35+,36+/m11111111/s1
InChIKeyBGRWBUSHSDNTHJ-FANWASSJSA-N
XLogP54.98
TPSA1230.06 Ų
H-Bond Donors25
H-Bond Acceptors66
Rotatable Bonds100
Heavy Atoms454
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006146.53
LogP ≤ 554.98
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1066

Analyze methyl N-[(2S,3R)-1-[(2S)-2-[4-[4-[4-[2-[(3S)-3-[(4-aminophenyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-(furan-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-(2-hydroxyethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-[(6-methoxy-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-[(2S)-2-[5-[4-[4-[2-[(3R)-3-[(6-methoxy-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-[(2-propan-2-yl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(3R)-3-[(2-propan-2-yl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(3R)-3-(pyridin-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

methyl N-[(2S,3R)-1-[(2S)-2-[5-[4-[4-[2-[3-(furan-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate
CID 130400891
methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(2R)-3-[(2-propan-2-yl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate
CID 130401365
methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(2R,3R)-3-(pyridin-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate
CID 130400854
methyl N-[(2S)-1-[(2S)-2-[5-[4-[4-[2-[(2R,3R)-3-[(2-cyclopropyl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 157304117
methyl N-[(2S,3R)-3-methoxy-1-[(2S)-2-[5-[4-[4-[2-[(2S,3S)-3-[(2-methoxy-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate
CID 130401744
methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-[(2-propan-2-yl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate
CID 130401442
methyl N-[(2S)-1-[(2S)-2-[5-[4-[4-[2-[(2S,3S)-3-[(6-methoxy-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 130401722
methyl N-[(2S,3R)-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-[(2-cyclopropyl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate
CID 130401879
methyl N-[(2S,3R)-3-methoxy-1-[(2S)-2-[5-[4-[4-[2-[(2R)-3-[(2-methylsulfanyl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate
CID 130401584
methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2R,3R)-3-[[2-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate
CID 159097345
methyl N-[(2S)-1-[(2S)-2-[4-[4-[4-[2-[(2S,3S)-3-(benzylcarbamoyl)-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
CID 148660143
methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-[4-[4-[2-[(2S,3S)-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
CID 161450126

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2S,3R)-1-[(2S)-2-[4-[4-[4-[2-[(3S)-3-[(4-aminophenyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-(furan-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-(2-hydroxyethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-[(6-methoxy-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-[(2S)-2-[5-[4-[4-[2-[(3R)-3-[(6-methoxy-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-[(2-propan-2-yl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(3R)-3-[(2-propan-2-yl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(3R)-3-(pyridin-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate?
The IUPAC name of methyl N-[(2S,3R)-1-[(2S)-2-[4-[4-[4-[2-[(3S)-3-[(4-aminophenyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-(furan-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-(2-hydroxyethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-[(6-methoxy-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-[(2S)-2-[5-[4-[4-[2-[(3R)-3-[(6-methoxy-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-[(2-propan-2-yl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(3R)-3-[(2-propan-2-yl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(3R)-3-(pyridin-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate (CID 157343684) is methyl N-[(2S,3R)-1-[(2S)-2-[4-[4-[4-[2-[(3S)-3-[(4-aminophenyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-(furan-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-(2-hydroxyethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-[(6-methoxy-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-[(2S)-2-[5-[4-[4-[2-[(3R)-3-[(6-methoxy-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-[(2-propan-2-yl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(3R)-3-[(2-propan-2-yl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(3R)-3-(pyridin-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate.
What is the SMILES notation for methyl N-[(2S,3R)-1-[(2S)-2-[4-[4-[4-[2-[(3S)-3-[(4-aminophenyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-(furan-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-(2-hydroxyethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-[(6-methoxy-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-[(2S)-2-[5-[4-[4-[2-[(3R)-3-[(6-methoxy-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-[(2-propan-2-yl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(3R)-3-[(2-propan-2-yl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(3R)-3-(pyridin-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate?
The canonical SMILES for methyl N-[(2S,3R)-1-[(2S)-2-[4-[4-[4-[2-[(3S)-3-[(4-aminophenyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-(furan-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-(2-hydroxyethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-[(6-methoxy-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-[(2S)-2-[5-[4-[4-[2-[(3R)-3-[(6-methoxy-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-[(2-propan-2-yl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(3R)-3-[(2-propan-2-yl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(3R)-3-(pyridin-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate is COC(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC=C(c2ccc(-c3ccc(C4=CN=C(C5C6CCC(C6)[C@@H]5C(=O)NCc5ccc(N)cc5)C4)cc3)cc2)C1)[C@@H](C)OC.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(C4=CN=C(C5C6CCC(C6)[C@@H]5C(=O)NCCO)C4)cc3)cc2)[nH]1)[C@@H](C)OC.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(C4=CN=C(C5C6CCC(C6)[C@@H]5C(=O)NCc5ccc(OC)nc5)C4)cc3)cc2)[nH]1)[C@@H](C)OC.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(C4=CN=C(C5C6CCC(C6)[C@@H]5C(=O)NCc5cccnc5C(C)C)C4)cc3)cc2)[nH]1)[C@@H](C)OC.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(C4=CN=C(C5C6CCC(C6)[C@@H]5C(=O)NCc5ccco5)C4)cc3)cc2)[nH]1)[C@@H](C)OC.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(C4=CN=C(C5C6CCC(C6)[C@H]5C(=O)NCc5ccc(OC)nc5)C4)cc3)cc2)[nH]1)[C@@H](C)OC.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(C4=CN=C(C5C6CCC(C6)[C@H]5C(=O)NCc5ccccn5)C4)cc3)cc2)[nH]1)[C@@H](C)OC.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(C4=CN=C(C5C6CCC(C6)[C@H]5C(=O)NCc5cccnc5C(C)C)C4)cc3)cc2)[nH]1)[C@@H](C)OC.
What is the InChIKey of methyl N-[(2S,3R)-1-[(2S)-2-[4-[4-[4-[2-[(3S)-3-[(4-aminophenyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-(furan-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-(2-hydroxyethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-[(6-methoxy-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-[(2S)-2-[5-[4-[4-[2-[(3R)-3-[(6-methoxy-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-[(2-propan-2-yl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(3R)-3-[(2-propan-2-yl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(3R)-3-(pyridin-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate?
The InChIKey is BGRWBUSHSDNTHJ-FANWASSJSA-N. The full InChI is InChI=1S/2C47H55N7O5.C46H52N6O5.2C45H51N7O6.C44H49N7O5.C43H48N6O6.C40H48N6O6/c2*1-27(2)42-35(8-6-20-48-42)24-51-45(55)41-34-19-18-33(22-34)40(41)37-23-36(25-49-37)31-12-10-29(11-13-31)30-14-16-32(17-15-30)38-26-50-44(52-38)39-9-7-21-54(39)46(56)43(28(3)58-4)53-47(57)59-5;1-27(56-2)43(51-46(55)57-3)45(54)52-20-4-5-40(52)38-22-35(25-48-38)31-12-8-29(9-13-31)30-10-14-32(15-11-30)36-23-39(49-26-36)41-33-16-17-34(21-33)42(41)44(53)50-24-28-6-18-37(47)19-7-28;2*1-26(56-2)41(51-45(55)58-4)44(54)52-19-5-6-37(52)42-48-25-36(50-42)31-14-12-29(13-15-31)28-8-10-30(11-9-28)34-21-35(46-24-34)39-32-16-17-33(20-32)40(39)43(53)49-23-27-7-18-38(57-3)47-22-27;1-26(55-2)40(50-44(54)56-3)43(53)51-20-6-8-37(51)41-47-25-36(49-41)30-15-13-28(14-16-30)27-9-11-29(12-10-27)33-22-35(46-23-33)38-31-17-18-32(21-31)39(38)42(52)48-24-34-7-4-5-19-45-34;1-25(53-2)39(48-43(52)54-3)42(51)49-18-4-7-36(49)40-45-24-35(47-40)29-14-12-27(13-15-29)26-8-10-28(11-9-26)32-21-34(44-22-32)37-30-16-17-31(20-30)38(37)41(50)46-23-33-6-5-19-55-33;1-23(51-2)36(45-40(50)52-3)39(49)46-17-4-5-33(46)37-43-22-32(44-37)27-12-10-25(11-13-27)24-6-8-26(9-7-24)30-20-31(42-21-30)34-28-14-15-29(19-28)35(34)38(48)41-16-18-47/h2*6,8,10-17,20,25-28,33-34,39-41,43H,7,9,18-19,21-24H2,1-5H3,(H,50,52)(H,51,55)(H,53,57);6-15,18-19,25-27,33-34,40-43H,4-5,16-17,20-24,47H2,1-3H3,(H,50,53)(H,51,55);2*7-15,18,22,24-26,32-33,37,39-41H,5-6,16-17,19-21,23H2,1-4H3,(H,48,50)(H,49,53)(H,51,55);4-5,7,9-16,19,23,25-26,31-32,37-40H,6,8,17-18,20-22,24H2,1-3H3,(H,47,49)(H,48,52)(H,50,54);5-6,8-15,19,22,24-25,30-31,36-39H,4,7,16-18,20-21,23H2,1-3H3,(H,45,47)(H,46,50)(H,48,52);6-13,21-23,28-29,33-36,47H,4-5,14-20H2,1-3H3,(H,41,48)(H,43,44)(H,45,50)/t28-,33?,34?,39+,40?,41+,43+;28-,33?,34?,39+,40?,41-,43+;27-,33?,34?,40+,41?,42+,43+;26-,32?,33?,37+,39?,40+,41+;26-,32?,33?,37+,39?,40-,41+;26-,31?,32?,37+,38?,39-,40+;25-,30?,31?,36+,37?,38+,39+;23-,28?,29?,33+,34?,35+,36+/m11111111/s1.
What are the key properties of methyl N-[(2S,3R)-1-[(2S)-2-[4-[4-[4-[2-[(3S)-3-[(4-aminophenyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-(furan-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-(2-hydroxyethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-[(6-methoxy-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-[(2S)-2-[5-[4-[4-[2-[(3R)-3-[(6-methoxy-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-[(2-propan-2-yl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(3R)-3-[(2-propan-2-yl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(3R)-3-(pyridin-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate?
methyl N-[(2S,3R)-1-[(2S)-2-[4-[4-[4-[2-[(3S)-3-[(4-aminophenyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-(furan-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-(2-hydroxyethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-[(6-methoxy-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-[(2S)-2-[5-[4-[4-[2-[(3R)-3-[(6-methoxy-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-[(2-propan-2-yl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(3R)-3-[(2-propan-2-yl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(3R)-3-(pyridin-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate has a molecular weight of 6146.53 g/mol, XLogP of 54.98, 100 rotatable bonds, 25 hydrogen bond donors, and 66 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2S,3R)-1-[(2S)-2-[4-[4-[4-[2-[(3S)-3-[(4-aminophenyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-(furan-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-(2-hydroxyethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-[(6-methoxy-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-[(2S)-2-[5-[4-[4-[2-[(3R)-3-[(6-methoxy-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-[(2-propan-2-yl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(3R)-3-[(2-propan-2-yl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(3R)-3-(pyridin-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate is sourced from PubChem (CID 157343684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).