methyl N-[(2S)-1-[(2S,3aS,7aS)-2-[5-[4-[11-[4-[2-[(2S,3aS,7aS)-1-[(2S)-2-(methoxycarbonylamino)-4-methylsulfanylbutanoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate;methyl N-[(1S)-2-[(2S,3aS,7aS)-2-[5-[4-[11-[4-[2-[(2S,3aS,7aS)-1-[(2S)-2-(methoxycarbonylamino)-2-phenylacetyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl (2S)-2-[(2S,3aS,7aS)-2-[5-[4-[11-[4-[2-[(2S,3aS,7aS)-1-[(2S)-1-methoxycarbonylpyrrolidine-2-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl]pyrrolidine-1-carboxylate

C198H220N24O18S2 — CID 161012913

IUPACmethyl N-[(2S)-1-[(2S,3aS,7aS)-2-[5-[4-[11-[4-[2-[(2S,3aS,7aS)-1-[(2S)-2-(methoxycarbonylamino)-4-methylsulfanylbutanoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate;methyl N-[(1S)-2-[(2S,3aS,7aS)-2-[5-[4-[11-[4-[2-[(2S,3aS,7aS)-1-[(2S)-2-(methoxycarbonylamino)-2-phenylacetyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl (2S)-2-[(2S,3aS,7aS)-2-[5-[4-[11-[4-[2-[(2S,3aS,7aS)-1-[(2S)-1-methoxycarbonylpyrrolidine-2-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl]pyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCC[C@H]1C(=O)N1[C@H](c2ncc(-c3ccc(-c4cc5ccc4CCc4ccc(c(-c6ccc(-c7cnc([C@@H]8C[C@@H]9CCCC[C@@H]9N8C(=O)[C@@H]8CCCN8C(=O)OC)[nH]7)cc6)c4)CC5)cc3)[nH]2)C[C@@H]2CCCC[C@@H]21.COC(=O)N[C@@H](CCSC)C(=O)N1[C@H](c2ncc(-c3ccc(-c4cc5ccc4CCc4ccc(c(-c6ccc(-c7cnc([C@@H]8C[C@@H]9CCCC[C@@H]9N8C(=O)[C@H](CCSC)NC(=O)OC)[nH]7)cc6)c4)CC5)cc3)[nH]2)C[C@@H]2CCCC[C@@H]21.COC(=O)N[C@H](C(=O)N1[C@H](c2ncc(-c3ccc(-c4cc5ccc4CCc4ccc(c(-c6ccc(-c7cnc([C@@H]8C[C@@H]9CCCC[C@@H]9N8C(=O)[C@@H](NC(=O)OC)c8ccccc8)[nH]7)cc6)c4)CC5)cc3)[nH]2)C[C@@H]2CCCC[C@@H]21)c1ccccc1
InChIInChI=1S/C70H72N8O6.C64H76N8O6S2.C64H72N8O6/c1-83-69(81)75-63(51-13-5-3-6-14-51)67(79)77-59-19-11-9-17-53(59)39-61(77)65-71-41-57(73-65)49-33-29-47(30-34-49)55-37-43-21-25-45(55)27-23-44-22-26-46(28-24-43)56(38-44)48-31-35-50(36-32-48)58-42-72-66(74-58)62-40-54-18-10-12-20-60(54)78(62)68(80)64(76-70(82)84-2)52-15-7-4-8-16-52;1-77-63(75)69-51(29-31-79-3)61(73)71-55-11-7-5-9-47(55)35-57(71)59-65-37-53(67-59)45-25-21-43(22-26-45)49-33-39-13-17-41(49)19-15-40-14-18-42(20-16-39)50(34-40)44-23-27-46(28-24-44)54-38-66-60(68-54)58-36-48-10-6-8-12-56(48)72(58)62(74)52(30-32-80-4)70-64(76)78-2;1-77-63(75)69-31-7-13-55(69)61(73)71-53-11-5-3-9-47(53)35-57(71)59-65-37-51(67-59)45-27-23-43(24-28-45)49-33-39-15-19-41(49)21-17-40-16-20-42(22-18-39)50(34-40)44-25-29-46(30-26-44)52-38-66-60(68-52)58-36-48-10-4-6-12-54(48)72(58)62(74)56-14-8-32-70(56)64(76)78-2/h3-8,13-16,21-22,25-26,29-38,41-42,53-54,59-64H,9-12,17-20,23-24,27-28,39-40H2,1-2H3,(H,71,73)(H,72,74)(H,75,81)(H,76,82);13-14,17-18,21-28,33-34,37-38,47-48,51-52,55-58H,5-12,15-16,19-20,29-32,35-36H2,1-4H3,(H,65,67)(H,66,68)(H,69,75)(H,70,76);15-16,19-20,23-30,33-34,37-38,47-48,53-58H,3-14,17-18,21-22,31-32,35-36H2,1-2H3,(H,65,67)(H,66,68)/t53-,54-,59-,60-,61-,62-,63-,64-;47-,48-,51-,52-,55-,56-,57-,58-;47-,48-,53-,54-,55-,56-,57-,58-/m000/s1
InChIKeyTXIZKCINDVLUQI-FQLXDCKHSA-N
MW3288.22 g/mol
LogP37.66
Rot. Bonds36

About methyl N-[(2S)-1-[(2S,3aS,7aS)-2-[5-[4-[11-[4-[2-[(2S,3aS,7aS)-1-[(2S)-2-(methoxycarbonylamino)-4-methylsulfanylbutanoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate;methyl N-[(1S)-2-[(2S,3aS,7aS)-2-[5-[4-[11-[4-[2-[(2S,3aS,7aS)-1-[(2S)-2-(methoxycarbonylamino)-2-phenylacetyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl (2S)-2-[(2S,3aS,7aS)-2-[5-[4-[11-[4-[2-[(2S,3aS,7aS)-1-[(2S)-1-methoxycarbonylpyrrolidine-2-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl]pyrrolidine-1-carboxylate

methyl N-[(2S)-1-[(2S,3aS,7aS)-2-[5-[4-[11-[4-[2-[(2S,3aS,7aS)-1-[(2S)-2-(methoxycarbonylamino)-4-methylsulfanylbutanoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate;methyl N-[(1S)-2-[(2S,3aS,7aS)-2-[5-[4-[11-[4-[2-[(2S,3aS,7aS)-1-[(2S)-2-(methoxycarbonylamino)-2-phenylacetyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl (2S)-2-[(2S,3aS,7aS)-2-[5-[4-[11-[4-[2-[(2S,3aS,7aS)-1-[(2S)-1-methoxycarbonylpyrrolidine-2-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl]pyrrolidine-1-carboxylate (PubChem CID 161012913) has the molecular formula C198H220N24O18S2 and a molecular weight of 3288.22 g/mol. Its IUPAC name is methyl N-[(2S)-1-[(2S,3aS,7aS)-2-[5-[4-[11-[4-[2-[(2S,3aS,7aS)-1-[(2S)-2-(methoxycarbonylamino)-4-methylsulfanylbutanoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate;methyl N-[(1S)-2-[(2S,3aS,7aS)-2-[5-[4-[11-[4-[2-[(2S,3aS,7aS)-1-[(2S)-2-(methoxycarbonylamino)-2-phenylacetyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl (2S)-2-[(2S,3aS,7aS)-2-[5-[4-[11-[4-[2-[(2S,3aS,7aS)-1-[(2S)-1-methoxycarbonylpyrrolidine-2-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl N-[(2S)-1-[(2S,3aS,7aS)-2-[5-[4-[11-[4-[2-[(2S,3aS,7aS)-1-[(2S)-2-(methoxycarbonylamino)-4-methylsulfanylbutanoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate;methyl N-[(1S)-2-[(2S,3aS,7aS)-2-[5-[4-[11-[4-[2-[(2S,3aS,7aS)-1-[(2S)-2-(methoxycarbonylamino)-2-phenylacetyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl (2S)-2-[(2S,3aS,7aS)-2-[5-[4-[11-[4-[2-[(2S,3aS,7aS)-1-[(2S)-1-methoxycarbonylpyrrolidine-2-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl]pyrrolidine-1-carboxylate
PubChem CID161012913
Molecular FormulaC198H220N24O18S2
Molecular Weight3288.22 g/mol
Exact Mass3285.65
IUPAC Namemethyl N-[(2S)-1-[(2S,3aS,7aS)-2-[5-[4-[11-[4-[2-[(2S,3aS,7aS)-1-[(2S)-2-(methoxycarbonylamino)-4-methylsulfanylbutanoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate;methyl N-[(1S)-2-[(2S,3aS,7aS)-2-[5-[4-[11-[4-[2-[(2S,3aS,7aS)-1-[(2S)-2-(methoxycarbonylamino)-2-phenylacetyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl (2S)-2-[(2S,3aS,7aS)-2-[5-[4-[11-[4-[2-[(2S,3aS,7aS)-1-[(2S)-1-methoxycarbonylpyrrolidine-2-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl]pyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCC[C@H]1C(=O)N1[C@H](c2ncc(-c3ccc(-c4cc5ccc4CCc4ccc(c(-c6ccc(-c7cnc([C@@H]8C[C@@H]9CCCC[C@@H]9N8C(=O)[C@@H]8CCCN8C(=O)OC)[nH]7)cc6)c4)CC5)cc3)[nH]2)C[C@@H]2CCCC[C@@H]21.COC(=O)N[C@@H](CCSC)C(=O)N1[C@H](c2ncc(-c3ccc(-c4cc5ccc4CCc4ccc(c(-c6ccc(-c7cnc([C@@H]8C[C@@H]9CCCC[C@@H]9N8C(=O)[C@H](CCSC)NC(=O)OC)[nH]7)cc6)c4)CC5)cc3)[nH]2)C[C@@H]2CCCC[C@@H]21.COC(=O)N[C@H](C(=O)N1[C@H](c2ncc(-c3ccc(-c4cc5ccc4CCc4ccc(c(-c6ccc(-c7cnc([C@@H]8C[C@@H]9CCCC[C@@H]9N8C(=O)[C@@H](NC(=O)OC)c8ccccc8)[nH]7)cc6)c4)CC5)cc3)[nH]2)C[C@@H]2CCCC[C@@H]21)c1ccccc1
InChIInChI=1S/C70H72N8O6.C64H76N8O6S2.C64H72N8O6/c1-83-69(81)75-63(51-13-5-3-6-14-51)67(79)77-59-19-11-9-17-53(59)39-61(77)65-71-41-57(73-65)49-33-29-47(30-34-49)55-37-43-21-25-45(55)27-23-44-22-26-46(28-24-43)56(38-44)48-31-35-50(36-32-48)58-42-72-66(74-58)62-40-54-18-10-12-20-60(54)78(62)68(80)64(76-70(82)84-2)52-15-7-4-8-16-52;1-77-63(75)69-51(29-31-79-3)61(73)71-55-11-7-5-9-47(55)35-57(71)59-65-37-53(67-59)45-25-21-43(22-26-45)49-33-39-13-17-41(49)19-15-40-14-18-42(20-16-39)50(34-40)44-23-27-46(28-24-44)54-38-66-60(68-54)58-36-48-10-6-8-12-56(48)72(58)62(74)52(30-32-80-4)70-64(76)78-2;1-77-63(75)69-31-7-13-55(69)61(73)71-53-11-5-3-9-47(53)35-57(71)59-65-37-51(67-59)45-27-23-43(24-28-45)49-33-39-15-19-41(49)21-17-40-16-20-42(22-18-39)50(34-40)44-25-29-46(30-26-44)52-38-66-60(68-52)58-36-48-10-4-6-12-54(48)72(58)62(74)56-14-8-32-70(56)64(76)78-2/h3-8,13-16,21-22,25-26,29-38,41-42,53-54,59-64H,9-12,17-20,23-24,27-28,39-40H2,1-2H3,(H,71,73)(H,72,74)(H,75,81)(H,76,82);13-14,17-18,21-28,33-34,37-38,47-48,51-52,55-58H,5-12,15-16,19-20,29-32,35-36H2,1-4H3,(H,65,67)(H,66,68)(H,69,75)(H,70,76);15-16,19-20,23-30,33-34,37-38,47-48,53-58H,3-14,17-18,21-22,31-32,35-36H2,1-2H3,(H,65,67)(H,66,68)/t53-,54-,59-,60-,61-,62-,63-,64-;47-,48-,51-,52-,55-,56-,57-,58-;47-,48-,53-,54-,55-,56-,57-,58-/m000/s1
InChIKeyTXIZKCINDVLUQI-FQLXDCKHSA-N
XLogP37.66
TPSA506.34 Ų
H-Bond Donors10
H-Bond Acceptors26
Rotatable Bonds36
Heavy Atoms242
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003288.22
LogP ≤ 537.66
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1026

Analyze methyl N-[(2S)-1-[(2S,3aS,7aS)-2-[5-[4-[11-[4-[2-[(2S,3aS,7aS)-1-[(2S)-2-(methoxycarbonylamino)-4-methylsulfanylbutanoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate;methyl N-[(1S)-2-[(2S,3aS,7aS)-2-[5-[4-[11-[4-[2-[(2S,3aS,7aS)-1-[(2S)-2-(methoxycarbonylamino)-2-phenylacetyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl (2S)-2-[(2S,3aS,7aS)-2-[5-[4-[11-[4-[2-[(2S,3aS,7aS)-1-[(2S)-1-methoxycarbonylpyrrolidine-2-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl]pyrrolidine-1-carboxylate with MolForge

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Related Compounds

methyl N-[(2S)-1-[(2S)-2-[5-[4-[11-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-4-methylsulfanylbutanoyl]-4-methylsulfonylpiperazin-2-yl]-1H-imidazol-5-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]-1H-imidazol-2-yl]-4-methylsulfonylpiperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate
CID 71473887
methyl N-[1-[3-[5-[4-[11-[4-[2-[2-[2-(methoxycarbonylamino)-4-methylsulfanylbutanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]-1H-imidazol-5-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]-1H-imidazol-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate
CID 126680934
methyl N-[(2S)-1-[(6S)-6-[5-[4-[11-[4-[2-[(6S)-5-[(2S)-2-(methoxycarbonylamino)-4-methylsulfanylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate
CID 71474262
methyl N-[(2S)-1-[(2S)-2-[5-[11-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 89252216
methyl N-[(2S)-1-[(2S,3aS,7aS)-2-[5-[4-[(5E)-5-[4-[2-[(2S,3aS,7aS)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-4,7-dimethylidene-11-bicyclo[8.2.2]tetradeca-1(12),5,10,13-tetraenyl]phenyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 89282429
methyl N-[(2S)-1-[(2S)-2-[5-[2-ethyl-5-[2-(4-ethylphenyl)ethyl]-4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-4-methylsulfanylbutanoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate
CID 129201021
methyl N-[2-[2-[5-[4-[4-[2-[1-[2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 74409532
methyl N-[(1S)-2-[(2S)-2-[6-[11-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 71474562
methyl N-[(1R)-2-[(2S,3aS,7aS)-2-[5-[4-[4-[2-[(2S,3aS,7aS)-1-[(2R)-2-(1,3-dioxetan-2-ylamino)-2-phenylacetyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]cyclohexyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 89043942
methyl N-[(1R)-2-[(2S)-2-[5-[3-[(dimethylamino)methyl]-4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 70877766
methyl N-[(2S)-1-[(2S,4R)-2-[6-[(2R)-11-[2-[(3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-4-methylsulfanylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3H-benzimidazol-5-yl]-2-methyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-1H-benzimidazol-2-yl]-4-methylpyrrolidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate
CID 146720079
methyl N-[(2S)-1-[(2S,3aS,7aS)-2-[6-[11-[2-[(2S,3aS,7aS)-1-[(2S)-3-cyano-2-(methoxycarbonylamino)propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-3H-benzimidazol-5-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3-cyano-1-oxopropan-2-yl]carbamate
CID 71474098

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2S)-1-[(2S,3aS,7aS)-2-[5-[4-[11-[4-[2-[(2S,3aS,7aS)-1-[(2S)-2-(methoxycarbonylamino)-4-methylsulfanylbutanoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate;methyl N-[(1S)-2-[(2S,3aS,7aS)-2-[5-[4-[11-[4-[2-[(2S,3aS,7aS)-1-[(2S)-2-(methoxycarbonylamino)-2-phenylacetyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl (2S)-2-[(2S,3aS,7aS)-2-[5-[4-[11-[4-[2-[(2S,3aS,7aS)-1-[(2S)-1-methoxycarbonylpyrrolidine-2-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl]pyrrolidine-1-carboxylate?
The IUPAC name of methyl N-[(2S)-1-[(2S,3aS,7aS)-2-[5-[4-[11-[4-[2-[(2S,3aS,7aS)-1-[(2S)-2-(methoxycarbonylamino)-4-methylsulfanylbutanoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate;methyl N-[(1S)-2-[(2S,3aS,7aS)-2-[5-[4-[11-[4-[2-[(2S,3aS,7aS)-1-[(2S)-2-(methoxycarbonylamino)-2-phenylacetyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl (2S)-2-[(2S,3aS,7aS)-2-[5-[4-[11-[4-[2-[(2S,3aS,7aS)-1-[(2S)-1-methoxycarbonylpyrrolidine-2-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl]pyrrolidine-1-carboxylate (CID 161012913) is methyl N-[(2S)-1-[(2S,3aS,7aS)-2-[5-[4-[11-[4-[2-[(2S,3aS,7aS)-1-[(2S)-2-(methoxycarbonylamino)-4-methylsulfanylbutanoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate;methyl N-[(1S)-2-[(2S,3aS,7aS)-2-[5-[4-[11-[4-[2-[(2S,3aS,7aS)-1-[(2S)-2-(methoxycarbonylamino)-2-phenylacetyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl (2S)-2-[(2S,3aS,7aS)-2-[5-[4-[11-[4-[2-[(2S,3aS,7aS)-1-[(2S)-1-methoxycarbonylpyrrolidine-2-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for methyl N-[(2S)-1-[(2S,3aS,7aS)-2-[5-[4-[11-[4-[2-[(2S,3aS,7aS)-1-[(2S)-2-(methoxycarbonylamino)-4-methylsulfanylbutanoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate;methyl N-[(1S)-2-[(2S,3aS,7aS)-2-[5-[4-[11-[4-[2-[(2S,3aS,7aS)-1-[(2S)-2-(methoxycarbonylamino)-2-phenylacetyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl (2S)-2-[(2S,3aS,7aS)-2-[5-[4-[11-[4-[2-[(2S,3aS,7aS)-1-[(2S)-1-methoxycarbonylpyrrolidine-2-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl]pyrrolidine-1-carboxylate?
The canonical SMILES for methyl N-[(2S)-1-[(2S,3aS,7aS)-2-[5-[4-[11-[4-[2-[(2S,3aS,7aS)-1-[(2S)-2-(methoxycarbonylamino)-4-methylsulfanylbutanoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate;methyl N-[(1S)-2-[(2S,3aS,7aS)-2-[5-[4-[11-[4-[2-[(2S,3aS,7aS)-1-[(2S)-2-(methoxycarbonylamino)-2-phenylacetyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl (2S)-2-[(2S,3aS,7aS)-2-[5-[4-[11-[4-[2-[(2S,3aS,7aS)-1-[(2S)-1-methoxycarbonylpyrrolidine-2-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl]pyrrolidine-1-carboxylate is COC(=O)N1CCC[C@H]1C(=O)N1[C@H](c2ncc(-c3ccc(-c4cc5ccc4CCc4ccc(c(-c6ccc(-c7cnc([C@@H]8C[C@@H]9CCCC[C@@H]9N8C(=O)[C@@H]8CCCN8C(=O)OC)[nH]7)cc6)c4)CC5)cc3)[nH]2)C[C@@H]2CCCC[C@@H]21.COC(=O)N[C@@H](CCSC)C(=O)N1[C@H](c2ncc(-c3ccc(-c4cc5ccc4CCc4ccc(c(-c6ccc(-c7cnc([C@@H]8C[C@@H]9CCCC[C@@H]9N8C(=O)[C@H](CCSC)NC(=O)OC)[nH]7)cc6)c4)CC5)cc3)[nH]2)C[C@@H]2CCCC[C@@H]21.COC(=O)N[C@H](C(=O)N1[C@H](c2ncc(-c3ccc(-c4cc5ccc4CCc4ccc(c(-c6ccc(-c7cnc([C@@H]8C[C@@H]9CCCC[C@@H]9N8C(=O)[C@@H](NC(=O)OC)c8ccccc8)[nH]7)cc6)c4)CC5)cc3)[nH]2)C[C@@H]2CCCC[C@@H]21)c1ccccc1.
What is the InChIKey of methyl N-[(2S)-1-[(2S,3aS,7aS)-2-[5-[4-[11-[4-[2-[(2S,3aS,7aS)-1-[(2S)-2-(methoxycarbonylamino)-4-methylsulfanylbutanoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate;methyl N-[(1S)-2-[(2S,3aS,7aS)-2-[5-[4-[11-[4-[2-[(2S,3aS,7aS)-1-[(2S)-2-(methoxycarbonylamino)-2-phenylacetyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl (2S)-2-[(2S,3aS,7aS)-2-[5-[4-[11-[4-[2-[(2S,3aS,7aS)-1-[(2S)-1-methoxycarbonylpyrrolidine-2-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl]pyrrolidine-1-carboxylate?
The InChIKey is TXIZKCINDVLUQI-FQLXDCKHSA-N. The full InChI is InChI=1S/C70H72N8O6.C64H76N8O6S2.C64H72N8O6/c1-83-69(81)75-63(51-13-5-3-6-14-51)67(79)77-59-19-11-9-17-53(59)39-61(77)65-71-41-57(73-65)49-33-29-47(30-34-49)55-37-43-21-25-45(55)27-23-44-22-26-46(28-24-43)56(38-44)48-31-35-50(36-32-48)58-42-72-66(74-58)62-40-54-18-10-12-20-60(54)78(62)68(80)64(76-70(82)84-2)52-15-7-4-8-16-52;1-77-63(75)69-51(29-31-79-3)61(73)71-55-11-7-5-9-47(55)35-57(71)59-65-37-53(67-59)45-25-21-43(22-26-45)49-33-39-13-17-41(49)19-15-40-14-18-42(20-16-39)50(34-40)44-23-27-46(28-24-44)54-38-66-60(68-54)58-36-48-10-6-8-12-56(48)72(58)62(74)52(30-32-80-4)70-64(76)78-2;1-77-63(75)69-31-7-13-55(69)61(73)71-53-11-5-3-9-47(53)35-57(71)59-65-37-51(67-59)45-27-23-43(24-28-45)49-33-39-15-19-41(49)21-17-40-16-20-42(22-18-39)50(34-40)44-25-29-46(30-26-44)52-38-66-60(68-52)58-36-48-10-4-6-12-54(48)72(58)62(74)56-14-8-32-70(56)64(76)78-2/h3-8,13-16,21-22,25-26,29-38,41-42,53-54,59-64H,9-12,17-20,23-24,27-28,39-40H2,1-2H3,(H,71,73)(H,72,74)(H,75,81)(H,76,82);13-14,17-18,21-28,33-34,37-38,47-48,51-52,55-58H,5-12,15-16,19-20,29-32,35-36H2,1-4H3,(H,65,67)(H,66,68)(H,69,75)(H,70,76);15-16,19-20,23-30,33-34,37-38,47-48,53-58H,3-14,17-18,21-22,31-32,35-36H2,1-2H3,(H,65,67)(H,66,68)/t53-,54-,59-,60-,61-,62-,63-,64-;47-,48-,51-,52-,55-,56-,57-,58-;47-,48-,53-,54-,55-,56-,57-,58-/m000/s1.
What are the key properties of methyl N-[(2S)-1-[(2S,3aS,7aS)-2-[5-[4-[11-[4-[2-[(2S,3aS,7aS)-1-[(2S)-2-(methoxycarbonylamino)-4-methylsulfanylbutanoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate;methyl N-[(1S)-2-[(2S,3aS,7aS)-2-[5-[4-[11-[4-[2-[(2S,3aS,7aS)-1-[(2S)-2-(methoxycarbonylamino)-2-phenylacetyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl (2S)-2-[(2S,3aS,7aS)-2-[5-[4-[11-[4-[2-[(2S,3aS,7aS)-1-[(2S)-1-methoxycarbonylpyrrolidine-2-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl]pyrrolidine-1-carboxylate?
methyl N-[(2S)-1-[(2S,3aS,7aS)-2-[5-[4-[11-[4-[2-[(2S,3aS,7aS)-1-[(2S)-2-(methoxycarbonylamino)-4-methylsulfanylbutanoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate;methyl N-[(1S)-2-[(2S,3aS,7aS)-2-[5-[4-[11-[4-[2-[(2S,3aS,7aS)-1-[(2S)-2-(methoxycarbonylamino)-2-phenylacetyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl (2S)-2-[(2S,3aS,7aS)-2-[5-[4-[11-[4-[2-[(2S,3aS,7aS)-1-[(2S)-1-methoxycarbonylpyrrolidine-2-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl]pyrrolidine-1-carboxylate has a molecular weight of 3288.22 g/mol, XLogP of 37.66, 36 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2S)-1-[(2S,3aS,7aS)-2-[5-[4-[11-[4-[2-[(2S,3aS,7aS)-1-[(2S)-2-(methoxycarbonylamino)-4-methylsulfanylbutanoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate;methyl N-[(1S)-2-[(2S,3aS,7aS)-2-[5-[4-[11-[4-[2-[(2S,3aS,7aS)-1-[(2S)-2-(methoxycarbonylamino)-2-phenylacetyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl (2S)-2-[(2S,3aS,7aS)-2-[5-[4-[11-[4-[2-[(2S,3aS,7aS)-1-[(2S)-1-methoxycarbonylpyrrolidine-2-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 161012913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).