methane;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-[(3S)-oxan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(3S)-oxan-3-yl]-2-oxoethyl]carbamate;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-[(3R)-oxan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(3R)-oxan-3-yl]-2-oxoethyl]carbamate;methyl N-[(1R)-2-[(1R,3S,5R)-3-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2R)-2-(methoxycarbonylamino)-2-[(3R)-oxan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(3R)-oxan-3-yl]-2-oxoethyl]carbamate;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-fluoro-4-[4-[4-[5-fluoro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-isocyano-4-[4-[4-[2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate

C236H281Cl6F2N41O40 — CID 157075578

IUPACmethane;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-[(3S)-oxan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(3S)-oxan-3-yl]-2-oxoethyl]carbamate;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-[(3R)-oxan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(3R)-oxan-3-yl]-2-oxoethyl]carbamate;methyl N-[(1R)-2-[(1R,3S,5R)-3-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2R)-2-(methoxycarbonylamino)-2-[(3R)-oxan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(3R)-oxan-3-yl]-2-oxoethyl]carbamate;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-fluoro-4-[4-[4-[5-fluoro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-isocyano-4-[4-[4-[2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate
SMILESC.C.C.C.C.COC(=O)N[C@@H](C(=O)N1[C@@H]2C[C@@H]2C[C@H]1c1nc(-c2ccc(-c3ccc(-c4nc([C@@H]5C[C@H]6C[C@H]6N5C(=O)[C@H](NC(=O)OC)[C@H]5CCCOC5)[nH]c4Cl)cc3)cc2)c(Cl)[nH]1)[C@H]1CCCOC1.COC(=O)N[C@H](C(=O)N1[C@@H]2C[C@@H]2C[C@H]1c1nc(-c2ccc(-c3ccc(-c4nc([C@@H]5C[C@H]6C[C@H]6N5C(=O)[C@@H](NC(=O)OC)C5CCOCC5)[nH]c4F)cc3)cc2)c(F)[nH]1)C1CCOCC1.COC(=O)N[C@H](C(=O)N1[C@@H]2C[C@@H]2C[C@H]1c1nc(-c2ccc(-c3ccc(-c4nc([C@@H]5C[C@H]6C[C@H]6N5C(=O)[C@@H](NC(=O)OC)[C@@H]5CCCOC5)[nH]c4Cl)cc3)cc2)c(Cl)[nH]1)[C@@H]1CCCOC1.COC(=O)N[C@H](C(=O)N1[C@@H]2C[C@@H]2C[C@H]1c1nc(-c2ccc(-c3ccc(-c4nc([C@@H]5C[C@H]6C[C@H]6N5C(=O)[C@@H](NC(=O)OC)[C@H]5CCCOC5)[nH]c4Cl)cc3)cc2)c(Cl)[nH]1)[C@H]1CCCOC1.[C-]#[N+]c1[nH]c([C@@H]2C[C@H]3C[C@H]3N2C(=O)[C@@H](NC(=O)OC)C2CCOCC2)nc1-c1ccc(-c2ccc(-c3cnc([C@@H]4C[C@H]5C[C@H]5N4C(=O)[C@@H](NC(=O)OC)C4CCOCC4)[nH]3)cc2)cc1
InChIInChI=1S/C47H53N9O8.3C46H52Cl2N8O8.C46H52F2N8O8.5CH4/c1-48-43-38(51-42(54-43)37-23-32-21-35(32)56(37)45(58)40(53-47(60)62-3)30-14-18-64-19-15-30)28-10-6-26(7-11-28)25-4-8-27(9-5-25)33-24-49-41(50-33)36-22-31-20-34(31)55(36)44(57)39(52-46(59)61-2)29-12-16-63-17-13-29;3*1-61-45(59)51-37(27-5-3-15-63-21-27)43(57)55-31-17-29(31)19-33(55)41-49-35(39(47)53-41)25-11-7-23(8-12-25)24-9-13-26(14-10-24)36-40(48)54-42(50-36)34-20-30-18-32(30)56(34)44(58)38(52-46(60)62-2)28-6-4-16-64-22-28;1-61-45(59)51-37(27-11-15-63-16-12-27)43(57)55-31-19-29(31)21-33(55)41-49-35(39(47)53-41)25-7-3-23(4-8-25)24-5-9-26(10-6-24)36-40(48)54-42(50-36)34-22-30-20-32(30)56(34)44(58)38(52-46(60)62-2)28-13-17-64-18-14-28;;;;;/h4-11,24,29-32,34-37,39-40H,12-23H2,2-3H3,(H,49,50)(H,51,54)(H,52,59)(H,53,60);3*7-14,27-34,37-38H,3-6,15-22H2,1-2H3,(H,49,53)(H,50,54)(H,51,59)(H,52,60);3-10,27-34,37-38H,11-22H2,1-2H3,(H,49,53)(H,50,54)(H,51,59)(H,52,60);5*1H4/t31-,32-,34-,35-,36+,37+,39+,40+;27-,28-,29+,30+,31+,32+,33-,34-,37+,38+;27-,28-,29+,30+,31+,32+,33-,34-,37-,38-;27-,28-,29-,30-,31-,32-,33+,34+,37+,38+;29-,30-,31-,32-,33+,34+,37+,38+;;;;;/m10011...../s1
InChIKeyACXZNFNNQCPFDW-ASHQVIJASA-N
MW4582.81 g/mol
LogP36.73
Rot. Bonds55

About methane;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-[(3S)-oxan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(3S)-oxan-3-yl]-2-oxoethyl]carbamate;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-[(3R)-oxan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(3R)-oxan-3-yl]-2-oxoethyl]carbamate;methyl N-[(1R)-2-[(1R,3S,5R)-3-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2R)-2-(methoxycarbonylamino)-2-[(3R)-oxan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(3R)-oxan-3-yl]-2-oxoethyl]carbamate;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-fluoro-4-[4-[4-[5-fluoro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-isocyano-4-[4-[4-[2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate

methane;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-[(3S)-oxan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(3S)-oxan-3-yl]-2-oxoethyl]carbamate;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-[(3R)-oxan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(3R)-oxan-3-yl]-2-oxoethyl]carbamate;methyl N-[(1R)-2-[(1R,3S,5R)-3-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2R)-2-(methoxycarbonylamino)-2-[(3R)-oxan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(3R)-oxan-3-yl]-2-oxoethyl]carbamate;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-fluoro-4-[4-[4-[5-fluoro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-isocyano-4-[4-[4-[2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate (PubChem CID 157075578) has the molecular formula C236H281Cl6F2N41O40 and a molecular weight of 4582.81 g/mol. Its IUPAC name is methane;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-[(3S)-oxan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(3S)-oxan-3-yl]-2-oxoethyl]carbamate;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-[(3R)-oxan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(3R)-oxan-3-yl]-2-oxoethyl]carbamate;methyl N-[(1R)-2-[(1R,3S,5R)-3-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2R)-2-(methoxycarbonylamino)-2-[(3R)-oxan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(3R)-oxan-3-yl]-2-oxoethyl]carbamate;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-fluoro-4-[4-[4-[5-fluoro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-isocyano-4-[4-[4-[2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate.

Molecular Properties

Compound Namemethane;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-[(3S)-oxan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(3S)-oxan-3-yl]-2-oxoethyl]carbamate;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-[(3R)-oxan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(3R)-oxan-3-yl]-2-oxoethyl]carbamate;methyl N-[(1R)-2-[(1R,3S,5R)-3-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2R)-2-(methoxycarbonylamino)-2-[(3R)-oxan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(3R)-oxan-3-yl]-2-oxoethyl]carbamate;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-fluoro-4-[4-[4-[5-fluoro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-isocyano-4-[4-[4-[2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate
PubChem CID157075578
Molecular FormulaC236H281Cl6F2N41O40
Molecular Weight4582.81 g/mol
Exact Mass4576.93
IUPAC Namemethane;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-[(3S)-oxan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(3S)-oxan-3-yl]-2-oxoethyl]carbamate;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-[(3R)-oxan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(3R)-oxan-3-yl]-2-oxoethyl]carbamate;methyl N-[(1R)-2-[(1R,3S,5R)-3-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2R)-2-(methoxycarbonylamino)-2-[(3R)-oxan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(3R)-oxan-3-yl]-2-oxoethyl]carbamate;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-fluoro-4-[4-[4-[5-fluoro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-isocyano-4-[4-[4-[2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate
SMILESC.C.C.C.C.COC(=O)N[C@@H](C(=O)N1[C@@H]2C[C@@H]2C[C@H]1c1nc(-c2ccc(-c3ccc(-c4nc([C@@H]5C[C@H]6C[C@H]6N5C(=O)[C@H](NC(=O)OC)[C@H]5CCCOC5)[nH]c4Cl)cc3)cc2)c(Cl)[nH]1)[C@H]1CCCOC1.COC(=O)N[C@H](C(=O)N1[C@@H]2C[C@@H]2C[C@H]1c1nc(-c2ccc(-c3ccc(-c4nc([C@@H]5C[C@H]6C[C@H]6N5C(=O)[C@@H](NC(=O)OC)C5CCOCC5)[nH]c4F)cc3)cc2)c(F)[nH]1)C1CCOCC1.COC(=O)N[C@H](C(=O)N1[C@@H]2C[C@@H]2C[C@H]1c1nc(-c2ccc(-c3ccc(-c4nc([C@@H]5C[C@H]6C[C@H]6N5C(=O)[C@@H](NC(=O)OC)[C@@H]5CCCOC5)[nH]c4Cl)cc3)cc2)c(Cl)[nH]1)[C@@H]1CCCOC1.COC(=O)N[C@H](C(=O)N1[C@@H]2C[C@@H]2C[C@H]1c1nc(-c2ccc(-c3ccc(-c4nc([C@@H]5C[C@H]6C[C@H]6N5C(=O)[C@@H](NC(=O)OC)[C@H]5CCCOC5)[nH]c4Cl)cc3)cc2)c(Cl)[nH]1)[C@H]1CCCOC1.[C-]#[N+]c1[nH]c([C@@H]2C[C@H]3C[C@H]3N2C(=O)[C@@H](NC(=O)OC)C2CCOCC2)nc1-c1ccc(-c2ccc(-c3cnc([C@@H]4C[C@H]5C[C@H]5N4C(=O)[C@@H](NC(=O)OC)C4CCOCC4)[nH]3)cc2)cc1
InChIInChI=1S/C47H53N9O8.3C46H52Cl2N8O8.C46H52F2N8O8.5CH4/c1-48-43-38(51-42(54-43)37-23-32-21-35(32)56(37)45(58)40(53-47(60)62-3)30-14-18-64-19-15-30)28-10-6-26(7-11-28)25-4-8-27(9-5-25)33-24-49-41(50-33)36-22-31-20-34(31)55(36)44(57)39(52-46(59)61-2)29-12-16-63-17-13-29;3*1-61-45(59)51-37(27-5-3-15-63-21-27)43(57)55-31-17-29(31)19-33(55)41-49-35(39(47)53-41)25-11-7-23(8-12-25)24-9-13-26(14-10-24)36-40(48)54-42(50-36)34-20-30-18-32(30)56(34)44(58)38(52-46(60)62-2)28-6-4-16-64-22-28;1-61-45(59)51-37(27-11-15-63-16-12-27)43(57)55-31-19-29(31)21-33(55)41-49-35(39(47)53-41)25-7-3-23(4-8-25)24-5-9-26(10-6-24)36-40(48)54-42(50-36)34-22-30-20-32(30)56(34)44(58)38(52-46(60)62-2)28-13-17-64-18-14-28;;;;;/h4-11,24,29-32,34-37,39-40H,12-23H2,2-3H3,(H,49,50)(H,51,54)(H,52,59)(H,53,60);3*7-14,27-34,37-38H,3-6,15-22H2,1-2H3,(H,49,53)(H,50,54)(H,51,59)(H,52,60);3-10,27-34,37-38H,11-22H2,1-2H3,(H,49,53)(H,50,54)(H,51,59)(H,52,60);5*1H4/t31-,32-,34-,35-,36+,37+,39+,40+;27-,28-,29+,30+,31+,32+,33-,34-,37+,38+;27-,28-,29+,30+,31+,32+,33-,34-,37-,38-;27-,28-,29-,30-,31-,32-,33+,34+,37+,38+;29-,30-,31-,32-,33+,34+,37+,38+;;;;;/m10011...../s1
InChIKeyACXZNFNNQCPFDW-ASHQVIJASA-N
XLogP36.73
TPSA969.86 Ų
H-Bond Donors20
H-Bond Acceptors50
Rotatable Bonds55
Heavy Atoms325
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004582.81
LogP ≤ 536.73
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1050

Analyze methane;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-[(3S)-oxan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(3S)-oxan-3-yl]-2-oxoethyl]carbamate;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-[(3R)-oxan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(3R)-oxan-3-yl]-2-oxoethyl]carbamate;methyl N-[(1R)-2-[(1R,3S,5R)-3-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2R)-2-(methoxycarbonylamino)-2-[(3R)-oxan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(3R)-oxan-3-yl]-2-oxoethyl]carbamate;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-fluoro-4-[4-[4-[5-fluoro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-isocyano-4-[4-[4-[2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-[(3S)-oxan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(3S)-oxan-3-yl]-2-oxoethyl]carbamate;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-[(3R)-oxan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(3R)-oxan-3-yl]-2-oxoethyl]carbamate;methyl N-[(1R)-2-[(1R,3S,5R)-3-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2R)-2-(methoxycarbonylamino)-2-[(3R)-oxan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(3R)-oxan-3-yl]-2-oxoethyl]carbamate;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-fluoro-4-[4-[4-[5-fluoro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-isocyano-4-[4-[4-[2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate?
The IUPAC name of methane;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-[(3S)-oxan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(3S)-oxan-3-yl]-2-oxoethyl]carbamate;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-[(3R)-oxan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(3R)-oxan-3-yl]-2-oxoethyl]carbamate;methyl N-[(1R)-2-[(1R,3S,5R)-3-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2R)-2-(methoxycarbonylamino)-2-[(3R)-oxan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(3R)-oxan-3-yl]-2-oxoethyl]carbamate;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-fluoro-4-[4-[4-[5-fluoro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-isocyano-4-[4-[4-[2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate (CID 157075578) is methane;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-[(3S)-oxan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(3S)-oxan-3-yl]-2-oxoethyl]carbamate;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-[(3R)-oxan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(3R)-oxan-3-yl]-2-oxoethyl]carbamate;methyl N-[(1R)-2-[(1R,3S,5R)-3-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2R)-2-(methoxycarbonylamino)-2-[(3R)-oxan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(3R)-oxan-3-yl]-2-oxoethyl]carbamate;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-fluoro-4-[4-[4-[5-fluoro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-isocyano-4-[4-[4-[2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate.
What is the SMILES notation for methane;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-[(3S)-oxan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(3S)-oxan-3-yl]-2-oxoethyl]carbamate;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-[(3R)-oxan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(3R)-oxan-3-yl]-2-oxoethyl]carbamate;methyl N-[(1R)-2-[(1R,3S,5R)-3-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2R)-2-(methoxycarbonylamino)-2-[(3R)-oxan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(3R)-oxan-3-yl]-2-oxoethyl]carbamate;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-fluoro-4-[4-[4-[5-fluoro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-isocyano-4-[4-[4-[2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate?
The canonical SMILES for methane;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-[(3S)-oxan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(3S)-oxan-3-yl]-2-oxoethyl]carbamate;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-[(3R)-oxan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(3R)-oxan-3-yl]-2-oxoethyl]carbamate;methyl N-[(1R)-2-[(1R,3S,5R)-3-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2R)-2-(methoxycarbonylamino)-2-[(3R)-oxan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(3R)-oxan-3-yl]-2-oxoethyl]carbamate;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-fluoro-4-[4-[4-[5-fluoro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-isocyano-4-[4-[4-[2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate is C.C.C.C.C.COC(=O)N[C@@H](C(=O)N1[C@@H]2C[C@@H]2C[C@H]1c1nc(-c2ccc(-c3ccc(-c4nc([C@@H]5C[C@H]6C[C@H]6N5C(=O)[C@H](NC(=O)OC)[C@H]5CCCOC5)[nH]c4Cl)cc3)cc2)c(Cl)[nH]1)[C@H]1CCCOC1.COC(=O)N[C@H](C(=O)N1[C@@H]2C[C@@H]2C[C@H]1c1nc(-c2ccc(-c3ccc(-c4nc([C@@H]5C[C@H]6C[C@H]6N5C(=O)[C@@H](NC(=O)OC)C5CCOCC5)[nH]c4F)cc3)cc2)c(F)[nH]1)C1CCOCC1.COC(=O)N[C@H](C(=O)N1[C@@H]2C[C@@H]2C[C@H]1c1nc(-c2ccc(-c3ccc(-c4nc([C@@H]5C[C@H]6C[C@H]6N5C(=O)[C@@H](NC(=O)OC)[C@@H]5CCCOC5)[nH]c4Cl)cc3)cc2)c(Cl)[nH]1)[C@@H]1CCCOC1.COC(=O)N[C@H](C(=O)N1[C@@H]2C[C@@H]2C[C@H]1c1nc(-c2ccc(-c3ccc(-c4nc([C@@H]5C[C@H]6C[C@H]6N5C(=O)[C@@H](NC(=O)OC)[C@H]5CCCOC5)[nH]c4Cl)cc3)cc2)c(Cl)[nH]1)[C@H]1CCCOC1.[C-]#[N+]c1[nH]c([C@@H]2C[C@H]3C[C@H]3N2C(=O)[C@@H](NC(=O)OC)C2CCOCC2)nc1-c1ccc(-c2ccc(-c3cnc([C@@H]4C[C@H]5C[C@H]5N4C(=O)[C@@H](NC(=O)OC)C4CCOCC4)[nH]3)cc2)cc1.
What is the InChIKey of methane;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-[(3S)-oxan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(3S)-oxan-3-yl]-2-oxoethyl]carbamate;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-[(3R)-oxan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(3R)-oxan-3-yl]-2-oxoethyl]carbamate;methyl N-[(1R)-2-[(1R,3S,5R)-3-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2R)-2-(methoxycarbonylamino)-2-[(3R)-oxan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(3R)-oxan-3-yl]-2-oxoethyl]carbamate;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-fluoro-4-[4-[4-[5-fluoro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-isocyano-4-[4-[4-[2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate?
The InChIKey is ACXZNFNNQCPFDW-ASHQVIJASA-N. The full InChI is InChI=1S/C47H53N9O8.3C46H52Cl2N8O8.C46H52F2N8O8.5CH4/c1-48-43-38(51-42(54-43)37-23-32-21-35(32)56(37)45(58)40(53-47(60)62-3)30-14-18-64-19-15-30)28-10-6-26(7-11-28)25-4-8-27(9-5-25)33-24-49-41(50-33)36-22-31-20-34(31)55(36)44(57)39(52-46(59)61-2)29-12-16-63-17-13-29;3*1-61-45(59)51-37(27-5-3-15-63-21-27)43(57)55-31-17-29(31)19-33(55)41-49-35(39(47)53-41)25-11-7-23(8-12-25)24-9-13-26(14-10-24)36-40(48)54-42(50-36)34-20-30-18-32(30)56(34)44(58)38(52-46(60)62-2)28-6-4-16-64-22-28;1-61-45(59)51-37(27-11-15-63-16-12-27)43(57)55-31-19-29(31)21-33(55)41-49-35(39(47)53-41)25-7-3-23(4-8-25)24-5-9-26(10-6-24)36-40(48)54-42(50-36)34-22-30-20-32(30)56(34)44(58)38(52-46(60)62-2)28-13-17-64-18-14-28;;;;;/h4-11,24,29-32,34-37,39-40H,12-23H2,2-3H3,(H,49,50)(H,51,54)(H,52,59)(H,53,60);3*7-14,27-34,37-38H,3-6,15-22H2,1-2H3,(H,49,53)(H,50,54)(H,51,59)(H,52,60);3-10,27-34,37-38H,11-22H2,1-2H3,(H,49,53)(H,50,54)(H,51,59)(H,52,60);5*1H4/t31-,32-,34-,35-,36+,37+,39+,40+;27-,28-,29+,30+,31+,32+,33-,34-,37+,38+;27-,28-,29+,30+,31+,32+,33-,34-,37-,38-;27-,28-,29-,30-,31-,32-,33+,34+,37+,38+;29-,30-,31-,32-,33+,34+,37+,38+;;;;;/m10011...../s1.
What are the key properties of methane;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-[(3S)-oxan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(3S)-oxan-3-yl]-2-oxoethyl]carbamate;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-[(3R)-oxan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(3R)-oxan-3-yl]-2-oxoethyl]carbamate;methyl N-[(1R)-2-[(1R,3S,5R)-3-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2R)-2-(methoxycarbonylamino)-2-[(3R)-oxan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(3R)-oxan-3-yl]-2-oxoethyl]carbamate;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-fluoro-4-[4-[4-[5-fluoro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-isocyano-4-[4-[4-[2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate?
methane;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-[(3S)-oxan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(3S)-oxan-3-yl]-2-oxoethyl]carbamate;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-[(3R)-oxan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(3R)-oxan-3-yl]-2-oxoethyl]carbamate;methyl N-[(1R)-2-[(1R,3S,5R)-3-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2R)-2-(methoxycarbonylamino)-2-[(3R)-oxan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(3R)-oxan-3-yl]-2-oxoethyl]carbamate;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-fluoro-4-[4-[4-[5-fluoro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-isocyano-4-[4-[4-[2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate has a molecular weight of 4582.81 g/mol, XLogP of 36.73, 55 rotatable bonds, 20 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-[(3S)-oxan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(3S)-oxan-3-yl]-2-oxoethyl]carbamate;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-[(3R)-oxan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(3R)-oxan-3-yl]-2-oxoethyl]carbamate;methyl N-[(1R)-2-[(1R,3S,5R)-3-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2R)-2-(methoxycarbonylamino)-2-[(3R)-oxan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(3R)-oxan-3-yl]-2-oxoethyl]carbamate;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-fluoro-4-[4-[4-[5-fluoro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate;methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-isocyano-4-[4-[4-[2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate is sourced from PubChem (CID 157075578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).