tert-butyl (3S)-3-[(1R,2S,5S)-2-[3-butyl-8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxooctanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]-4,4-dimethylpentanoate;carbon dioxide;3-methylbutan-2-yl (3S)-4-[(1S,2S,5R)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3-(1-methylcyclohexyl)-4-oxobutanoate;2-methylpropyl (3S)-3-cyclohexyl-4-[(1S,2S,5R)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxobutanoate;2-methylpropyl (3S)-3-cyclohexyl-4-[(1S,2S,5R,6R)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-6-ethyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxobutanoate;2-methylpropyl (3S)-4-[(2S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-4,4-dimethylpyrrolidin-1-yl]-3-(4,4-dimethylcyclohexyl)-4-oxobutanoate;2-methylpropyl (3S)-3-[(2S,5S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-5-methylpyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;propan-2-yl (3S)-3-[(2S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-3-(2-methylpropyl)-4,5,8-trioxooctanoyl]-4,4-dimethylpyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;propan-2-yl (3S)-3-[(1R,2S,5S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]-4,4-dimethylpentanoate

C325H478N24O66 — CID 159682698

IUPACtert-butyl (3S)-3-[(1R,2S,5S)-2-[3-butyl-8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxooctanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]-4,4-dimethylpentanoate;carbon dioxide;3-methylbutan-2-yl (3S)-4-[(1S,2S,5R)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3-(1-methylcyclohexyl)-4-oxobutanoate;2-methylpropyl (3S)-3-cyclohexyl-4-[(1S,2S,5R)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxobutanoate;2-methylpropyl (3S)-3-cyclohexyl-4-[(1S,2S,5R,6R)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-6-ethyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxobutanoate;2-methylpropyl (3S)-4-[(2S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-4,4-dimethylpyrrolidin-1-yl]-3-(4,4-dimethylcyclohexyl)-4-oxobutanoate;2-methylpropyl (3S)-3-[(2S,5S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-5-methylpyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;propan-2-yl (3S)-3-[(2S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-3-(2-methylpropyl)-4,5,8-trioxooctanoyl]-4,4-dimethylpyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;propan-2-yl (3S)-3-[(1R,2S,5S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]-4,4-dimethylpentanoate
SMILESCC(C)CC(CC(=O)[C@@H]1CC(C)(C)CN1C(=O)[C@@H](CC(=O)OC(C)C)C(C)(C)C)C(=O)C(=O)CCC(=O)NC(C(=O)N(C)C)c1ccccc1.CCCC(CC(=O)[C@@H]1CC(C)(C)CN1C(=O)[C@@H](CC(=O)OCC(C)C)C1CCC(C)(C)CC1)C(=O)C(=O)CCC(=O)NC(C(=O)N(C)C)c1ccccc1.CCCC(CC(=O)[C@@H]1CC[C@H](C)N1C(=O)[C@@H](CC(=O)OCC(C)C)C(C)(C)C)C(=O)C(=O)CCC(=O)NC(C(=O)N(C)C)c1ccccc1.CCCC(CC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](CC(=O)OC(C)C)C(C)(C)C)C2(C)C)C(=O)C(=O)CCC(=O)NC(C(=O)N(C)C)c1ccccc1.CCCC(CC(=O)[C@@H]1[C@H]2C[C@H]2CN1C(=O)[C@@H](CC(=O)OC(C)C(C)C)C1(C)CCCCC1)C(=O)C(=O)CCC(=O)NC(C(=O)N(C)C)c1ccccc1.CCCC(CC(=O)[C@@H]1[C@H]2C[C@H]2CN1C(=O)[C@@H](CC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)CCC(=O)NC(C(=O)N(C)C)c1ccccc1.CCCC(CC(=O)[C@@H]1[C@H]2[C@H](CC)[C@H]2CN1C(=O)[C@@H](CC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)CCC(=O)NC(C(=O)N(C)C)c1ccccc1.CCCCC(CC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](CC(=O)OC(C)(C)C)C(C)(C)C)C2(C)C)C(=O)C(=O)CCC(=O)NC(C(=O)N(C)C)c1ccccc1.O=C=O
InChIInChI=1S/C43H65N3O8.2C42H61N3O8.C41H61N3O8.C40H57N3O8.C39H57N3O8.C39H59N3O8.C38H57N3O8.CO2/c1-10-14-31(39(51)34(47)17-18-36(49)44-38(41(53)45(8)9)30-15-12-11-13-16-30)23-35(48)33-25-43(6,7)27-46(33)40(52)32(24-37(50)54-26-28(2)3)29-19-21-42(4,5)22-20-29;1-8-15-29(39(50)33(46)18-19-35(48)43-37(41(52)44(6)7)28-16-11-9-12-17-28)23-34(47)38-31-22-30(31)25-45(38)40(51)32(42(5)20-13-10-14-21-42)24-36(49)53-27(4)26(2)3;1-7-15-29(40(50)33(46)20-21-35(48)43-38(42(52)44(5)6)28-18-13-10-14-19-28)22-34(47)39-37-30(8-2)32(37)24-45(39)41(51)31(27-16-11-9-12-17-27)23-36(49)53-25-26(3)4;1-12-13-17-26(36(49)29(45)20-21-31(47)42-34(38(51)43(10)11)25-18-15-14-16-19-25)22-30(46)35-33-28(41(33,8)9)24-44(35)37(50)27(39(2,3)4)23-32(48)52-40(5,6)7;1-6-13-28(38(48)32(44)18-19-34(46)41-36(40(50)42(4)5)27-16-11-8-12-17-27)21-33(45)37-30-20-29(30)23-43(37)39(49)31(26-14-9-7-10-15-26)22-35(47)51-24-25(2)3;1-11-15-25(35(47)28(43)18-19-30(45)40-33(37(49)41(9)10)24-16-13-12-14-17-24)20-29(44)34-32-27(39(32,7)8)22-42(34)36(48)26(38(4,5)6)21-31(46)50-23(2)3;1-24(2)19-27(35(47)30(43)17-18-32(45)40-34(37(49)41(10)11)26-15-13-12-14-16-26)20-31(44)29-22-39(8,9)23-42(29)36(48)28(38(5,6)7)21-33(46)50-25(3)4;1-10-14-27(35(46)30(42)19-20-32(44)39-34(37(48)40(8)9)26-15-12-11-13-16-26)21-31(43)29-18-17-25(4)41(29)36(47)28(38(5,6)7)22-33(45)49-23-24(2)3;2-1-3/h11-13,15-16,28-29,31-33,38H,10,14,17-27H2,1-9H3,(H,44,49);9,11-12,16-17,26-27,29-32,37-38H,8,10,13-15,18-25H2,1-7H3,(H,43,48);10,13-14,18-19,26-27,29-32,37-39H,7-9,11-12,15-17,20-25H2,1-6H3,(H,43,48);14-16,18-19,26-28,33-35H,12-13,17,20-24H2,1-11H3,(H,42,47);8,11-12,16-17,25-26,28-31,36-37H,6-7,9-10,13-15,18-24H2,1-5H3,(H,41,46);12-14,16-17,23,25-27,32-34H,11,15,18-22H2,1-10H3,(H,40,45);12-16,24-25,27-29,34H,17-23H2,1-11H3,(H,40,45);11-13,15-16,24-25,27-29,34H,10,14,17-23H2,1-9H3,(H,39,44);/t31?,32-,33-,38?;27?,29?,30-,31-,32+,37?,38-;29?,30-,31+,32-,37+,38?,39-;26?,27-,28+,33+,34?,35-;28?,29-,30-,31-,36?,37-;25?,26-,27+,32+,33?,34-;27?,28-,29+,34?;25-,27?,28+,29-,34?;/m00110110./s1
InChIKeyMVKBYAMULKPKFK-DVUWROPUSA-N
MW5777.50 g/mol
LogP41.85
Rot. Bonds146

About tert-butyl (3S)-3-[(1R,2S,5S)-2-[3-butyl-8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxooctanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]-4,4-dimethylpentanoate;carbon dioxide;3-methylbutan-2-yl (3S)-4-[(1S,2S,5R)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3-(1-methylcyclohexyl)-4-oxobutanoate;2-methylpropyl (3S)-3-cyclohexyl-4-[(1S,2S,5R)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxobutanoate;2-methylpropyl (3S)-3-cyclohexyl-4-[(1S,2S,5R,6R)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-6-ethyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxobutanoate;2-methylpropyl (3S)-4-[(2S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-4,4-dimethylpyrrolidin-1-yl]-3-(4,4-dimethylcyclohexyl)-4-oxobutanoate;2-methylpropyl (3S)-3-[(2S,5S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-5-methylpyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;propan-2-yl (3S)-3-[(2S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-3-(2-methylpropyl)-4,5,8-trioxooctanoyl]-4,4-dimethylpyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;propan-2-yl (3S)-3-[(1R,2S,5S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]-4,4-dimethylpentanoate

tert-butyl (3S)-3-[(1R,2S,5S)-2-[3-butyl-8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxooctanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]-4,4-dimethylpentanoate;carbon dioxide;3-methylbutan-2-yl (3S)-4-[(1S,2S,5R)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3-(1-methylcyclohexyl)-4-oxobutanoate;2-methylpropyl (3S)-3-cyclohexyl-4-[(1S,2S,5R)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxobutanoate;2-methylpropyl (3S)-3-cyclohexyl-4-[(1S,2S,5R,6R)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-6-ethyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxobutanoate;2-methylpropyl (3S)-4-[(2S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-4,4-dimethylpyrrolidin-1-yl]-3-(4,4-dimethylcyclohexyl)-4-oxobutanoate;2-methylpropyl (3S)-3-[(2S,5S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-5-methylpyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;propan-2-yl (3S)-3-[(2S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-3-(2-methylpropyl)-4,5,8-trioxooctanoyl]-4,4-dimethylpyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;propan-2-yl (3S)-3-[(1R,2S,5S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]-4,4-dimethylpentanoate (PubChem CID 159682698) has the molecular formula C325H478N24O66 and a molecular weight of 5777.50 g/mol. Its IUPAC name is tert-butyl (3S)-3-[(1R,2S,5S)-2-[3-butyl-8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxooctanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]-4,4-dimethylpentanoate;carbon dioxide;3-methylbutan-2-yl (3S)-4-[(1S,2S,5R)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3-(1-methylcyclohexyl)-4-oxobutanoate;2-methylpropyl (3S)-3-cyclohexyl-4-[(1S,2S,5R)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxobutanoate;2-methylpropyl (3S)-3-cyclohexyl-4-[(1S,2S,5R,6R)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-6-ethyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxobutanoate;2-methylpropyl (3S)-4-[(2S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-4,4-dimethylpyrrolidin-1-yl]-3-(4,4-dimethylcyclohexyl)-4-oxobutanoate;2-methylpropyl (3S)-3-[(2S,5S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-5-methylpyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;propan-2-yl (3S)-3-[(2S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-3-(2-methylpropyl)-4,5,8-trioxooctanoyl]-4,4-dimethylpyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;propan-2-yl (3S)-3-[(1R,2S,5S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]-4,4-dimethylpentanoate.

Molecular Properties

Compound Nametert-butyl (3S)-3-[(1R,2S,5S)-2-[3-butyl-8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxooctanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]-4,4-dimethylpentanoate;carbon dioxide;3-methylbutan-2-yl (3S)-4-[(1S,2S,5R)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3-(1-methylcyclohexyl)-4-oxobutanoate;2-methylpropyl (3S)-3-cyclohexyl-4-[(1S,2S,5R)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxobutanoate;2-methylpropyl (3S)-3-cyclohexyl-4-[(1S,2S,5R,6R)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-6-ethyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxobutanoate;2-methylpropyl (3S)-4-[(2S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-4,4-dimethylpyrrolidin-1-yl]-3-(4,4-dimethylcyclohexyl)-4-oxobutanoate;2-methylpropyl (3S)-3-[(2S,5S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-5-methylpyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;propan-2-yl (3S)-3-[(2S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-3-(2-methylpropyl)-4,5,8-trioxooctanoyl]-4,4-dimethylpyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;propan-2-yl (3S)-3-[(1R,2S,5S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]-4,4-dimethylpentanoate
PubChem CID159682698
Molecular FormulaC325H478N24O66
Molecular Weight5777.50 g/mol
Exact Mass5773.48
IUPAC Nametert-butyl (3S)-3-[(1R,2S,5S)-2-[3-butyl-8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxooctanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]-4,4-dimethylpentanoate;carbon dioxide;3-methylbutan-2-yl (3S)-4-[(1S,2S,5R)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3-(1-methylcyclohexyl)-4-oxobutanoate;2-methylpropyl (3S)-3-cyclohexyl-4-[(1S,2S,5R)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxobutanoate;2-methylpropyl (3S)-3-cyclohexyl-4-[(1S,2S,5R,6R)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-6-ethyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxobutanoate;2-methylpropyl (3S)-4-[(2S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-4,4-dimethylpyrrolidin-1-yl]-3-(4,4-dimethylcyclohexyl)-4-oxobutanoate;2-methylpropyl (3S)-3-[(2S,5S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-5-methylpyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;propan-2-yl (3S)-3-[(2S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-3-(2-methylpropyl)-4,5,8-trioxooctanoyl]-4,4-dimethylpyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;propan-2-yl (3S)-3-[(1R,2S,5S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]-4,4-dimethylpentanoate
SMILESCC(C)CC(CC(=O)[C@@H]1CC(C)(C)CN1C(=O)[C@@H](CC(=O)OC(C)C)C(C)(C)C)C(=O)C(=O)CCC(=O)NC(C(=O)N(C)C)c1ccccc1.CCCC(CC(=O)[C@@H]1CC(C)(C)CN1C(=O)[C@@H](CC(=O)OCC(C)C)C1CCC(C)(C)CC1)C(=O)C(=O)CCC(=O)NC(C(=O)N(C)C)c1ccccc1.CCCC(CC(=O)[C@@H]1CC[C@H](C)N1C(=O)[C@@H](CC(=O)OCC(C)C)C(C)(C)C)C(=O)C(=O)CCC(=O)NC(C(=O)N(C)C)c1ccccc1.CCCC(CC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](CC(=O)OC(C)C)C(C)(C)C)C2(C)C)C(=O)C(=O)CCC(=O)NC(C(=O)N(C)C)c1ccccc1.CCCC(CC(=O)[C@@H]1[C@H]2C[C@H]2CN1C(=O)[C@@H](CC(=O)OC(C)C(C)C)C1(C)CCCCC1)C(=O)C(=O)CCC(=O)NC(C(=O)N(C)C)c1ccccc1.CCCC(CC(=O)[C@@H]1[C@H]2C[C@H]2CN1C(=O)[C@@H](CC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)CCC(=O)NC(C(=O)N(C)C)c1ccccc1.CCCC(CC(=O)[C@@H]1[C@H]2[C@H](CC)[C@H]2CN1C(=O)[C@@H](CC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)CCC(=O)NC(C(=O)N(C)C)c1ccccc1.CCCCC(CC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](CC(=O)OC(C)(C)C)C(C)(C)C)C2(C)C)C(=O)C(=O)CCC(=O)NC(C(=O)N(C)C)c1ccccc1.O=C=O
InChIInChI=1S/C43H65N3O8.2C42H61N3O8.C41H61N3O8.C40H57N3O8.C39H57N3O8.C39H59N3O8.C38H57N3O8.CO2/c1-10-14-31(39(51)34(47)17-18-36(49)44-38(41(53)45(8)9)30-15-12-11-13-16-30)23-35(48)33-25-43(6,7)27-46(33)40(52)32(24-37(50)54-26-28(2)3)29-19-21-42(4,5)22-20-29;1-8-15-29(39(50)33(46)18-19-35(48)43-37(41(52)44(6)7)28-16-11-9-12-17-28)23-34(47)38-31-22-30(31)25-45(38)40(51)32(42(5)20-13-10-14-21-42)24-36(49)53-27(4)26(2)3;1-7-15-29(40(50)33(46)20-21-35(48)43-38(42(52)44(5)6)28-18-13-10-14-19-28)22-34(47)39-37-30(8-2)32(37)24-45(39)41(51)31(27-16-11-9-12-17-27)23-36(49)53-25-26(3)4;1-12-13-17-26(36(49)29(45)20-21-31(47)42-34(38(51)43(10)11)25-18-15-14-16-19-25)22-30(46)35-33-28(41(33,8)9)24-44(35)37(50)27(39(2,3)4)23-32(48)52-40(5,6)7;1-6-13-28(38(48)32(44)18-19-34(46)41-36(40(50)42(4)5)27-16-11-8-12-17-27)21-33(45)37-30-20-29(30)23-43(37)39(49)31(26-14-9-7-10-15-26)22-35(47)51-24-25(2)3;1-11-15-25(35(47)28(43)18-19-30(45)40-33(37(49)41(9)10)24-16-13-12-14-17-24)20-29(44)34-32-27(39(32,7)8)22-42(34)36(48)26(38(4,5)6)21-31(46)50-23(2)3;1-24(2)19-27(35(47)30(43)17-18-32(45)40-34(37(49)41(10)11)26-15-13-12-14-16-26)20-31(44)29-22-39(8,9)23-42(29)36(48)28(38(5,6)7)21-33(46)50-25(3)4;1-10-14-27(35(46)30(42)19-20-32(44)39-34(37(48)40(8)9)26-15-12-11-13-16-26)21-31(43)29-18-17-25(4)41(29)36(47)28(38(5,6)7)22-33(45)49-23-24(2)3;2-1-3/h11-13,15-16,28-29,31-33,38H,10,14,17-27H2,1-9H3,(H,44,49);9,11-12,16-17,26-27,29-32,37-38H,8,10,13-15,18-25H2,1-7H3,(H,43,48);10,13-14,18-19,26-27,29-32,37-39H,7-9,11-12,15-17,20-25H2,1-6H3,(H,43,48);14-16,18-19,26-28,33-35H,12-13,17,20-24H2,1-11H3,(H,42,47);8,11-12,16-17,25-26,28-31,36-37H,6-7,9-10,13-15,18-24H2,1-5H3,(H,41,46);12-14,16-17,23,25-27,32-34H,11,15,18-22H2,1-10H3,(H,40,45);12-16,24-25,27-29,34H,17-23H2,1-11H3,(H,40,45);11-13,15-16,24-25,27-29,34H,10,14,17-23H2,1-9H3,(H,39,44);/t31?,32-,33-,38?;27?,29?,30-,31-,32+,37?,38-;29?,30-,31+,32-,37+,38?,39-;26?,27-,28+,33+,34?,35-;28?,29-,30-,31-,36?,37-;25?,26-,27+,32+,33?,34-;27?,28-,29+,34?;25-,27?,28+,29-,34?;/m00110110./s1
InChIKeyMVKBYAMULKPKFK-DVUWROPUSA-N
XLogP41.85
TPSA1211.98 Ų
H-Bond Donors8
H-Bond Acceptors66
Rotatable Bonds146
Heavy Atoms415
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005777.50
LogP ≤ 541.85
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1066

Analyze tert-butyl (3S)-3-[(1R,2S,5S)-2-[3-butyl-8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxooctanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]-4,4-dimethylpentanoate;carbon dioxide;3-methylbutan-2-yl (3S)-4-[(1S,2S,5R)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3-(1-methylcyclohexyl)-4-oxobutanoate;2-methylpropyl (3S)-3-cyclohexyl-4-[(1S,2S,5R)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxobutanoate;2-methylpropyl (3S)-3-cyclohexyl-4-[(1S,2S,5R,6R)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-6-ethyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxobutanoate;2-methylpropyl (3S)-4-[(2S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-4,4-dimethylpyrrolidin-1-yl]-3-(4,4-dimethylcyclohexyl)-4-oxobutanoate;2-methylpropyl (3S)-3-[(2S,5S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-5-methylpyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;propan-2-yl (3S)-3-[(2S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-3-(2-methylpropyl)-4,5,8-trioxooctanoyl]-4,4-dimethylpyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;propan-2-yl (3S)-3-[(1R,2S,5S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]-4,4-dimethylpentanoate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[1-(4,4-difluorocyclohexyl)-2-[(1R,2S,5S)-2-[8-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate
CID 58263184
[(2R)-3-methylbutan-2-yl] N-[(2S)-1-[(2S)-2-[[1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4,4-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(1S,5R)-2-[[(3R)-1-[[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[2-[[(3S)-1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]piperidin-1-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(2S)-2-[[(3S)-1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-5-methyl-1,2-dioxohexan-3-yl]carbamoyl]-4,4-dimethylpyrrolidin-1-yl]-2-oxoethyl]carbamate;propan-2-yl N-[(2S)-1-[(2S)-2-[[1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-5-methylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;propan-2-yl N-[(2S)-1-[(2S)-2-[[(3S)-1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-5-methyl-1,2-dioxohexan-3-yl]carbamoyl]-4,4-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 162038325
2-methylpropyl (3S)-3-[(2S)-2-[8-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-4,4-dimethylpyrrolidine-1-carbonyl]-4-phenylpentanoate
CID 58263154
tert-butyl N-[(1S)-1-cyclopentyl-2-[(1R,2S,5S)-2-[3-(cyclopropylmethyl)-8-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxooctanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate
CID 158004545
[(2R)-3-methylbutan-2-yl] N-[(1S)-2-[(1R,2S,5S)-2-[[(3S)-1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(1-methylcyclohexyl)-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(1S,2S,5R)-2-[[(3S)-1-[[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(2S)-1-[(1S,2S,5R)-2-[[(3S)-1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;propan-2-yl N-[(2S)-1-[(1S,2S,5R)-2-[[(3S)-1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;propan-2-yl N-[(2S)-1-[(2S,5S)-2-[[(3S)-1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;propan-2-yl N-[(2S)-1-[(2S,5S)-2-[[(3S)-1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-5-methyl-1,2-dioxohexan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 159391071
tert-butyl N-[(1S)-2-[(1S,2S,5R)-2-[3-(cyclobutylmethyl)-8-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxooctanoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;propane
CID 123209877
tert-butyl N-[1-cyclohexyl-2-[3-[3-(cyclopropylmethyl)-8-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxooctanoyl]-5,5-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-oxoethyl]carbamate
CID 58262996
2-[[6-[2-[(2S,3aS,7aS)-1-[(2S)-2-cyclohexyl-4-(2-methylpropoxy)-4-oxobutanoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-2-oxoethyl]-4,5-dioxononanoyl]amino]-2-phenylacetic acid;2-[[6-[2-[(3S)-2-[(2S)-2-[1-[(4-tert-butylphenyl)methoxy]ethyl]-4-(2-methylpropoxy)-4-oxobutanoyl]-6,10-dithia-2-azaspiro[4.5]decan-3-yl]-2-oxoethyl]-4,5-dioxononanoyl]amino]-2-phenylacetic acid;2-[[6-[2-[(2S)-1-[(2S)-2-cyclohexyl-4-(2-methylpropoxy)-4-oxobutanoyl]-4,4-difluoropyrrolidin-2-yl]-2-oxoethyl]-4,5-dioxononanoyl]amino]-2-phenylacetic acid;2-[[8-[(3S)-2-[(2S)-2-cyclohexyl-4-(2-methylpropoxy)-4-oxobutanoyl]-6,10-dithia-2-azaspiro[4.5]decan-3-yl]-6-(cyclopropylmethyl)-4,5,8-trioxooctanoyl]amino]-2-phenylacetic acid;2-[[6-[2-[(2S,3S)-1-[(2S)-2-cyclohexyl-4-(2-methylpropoxy)-4-oxobutanoyl]-3-prop-2-enylpyrrolidin-2-yl]-2-oxoethyl]-4,5-dioxononanoyl]amino]-2-phenylacetic acid;2-methylpropyl (3S)-3-cyclohexyl-4-oxo-4-[(8S)-8-[4,5,8-trioxo-8-[(2-oxo-1-phenylpropyl)amino]-3-propyloctanoyl]-1,4-dithia-7-azaspiro[4.4]nonan-7-yl]butanoate;2-methylpropyl (3S)-3-[(3S)-3-[3-(cyclopropylmethyl)-8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxooctanoyl]-6,10-dithia-2-azaspiro[4.5]decane-2-carbonyl]-4,4-dimethylpentanoate
CID 161169916
ethyl (1R,2S,5S,6S)-3-[(2S)-2-cyclohexyl-2-(2-methylpropoxycarbonylamino)acetyl]-2-[[1-[[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate;[(2R)-3-methylbutan-2-yl] N-[(1S)-1-cyclohexyl-2-[(2S)-2-[[1-[[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4,4-dimethylpyrrolidin-1-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(2S)-1-[(2S)-2-[[1-[[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-5-methyl-1,2-dioxohexan-3-yl]carbamoyl]-4,4-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;propan-2-yl N-[(2S)-1-[(2S)-2-[[1-[[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4,4-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 159400420
[(2R)-3-methylbutan-2-yl] N-[(1S)-2-[(1S,2S,5R)-2-[3-but-3-enyl-8-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxooctanoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamate;propane
CID 123533655
3-methylbutan-2-yl N-[1-[2-[8-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-3-(2-methylpropyl)-4,5,8-trioxooctanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;propane
CID 123956631
tert-butyl N-[(2S)-1-[(1R,2S)-2-[[1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;2-methylpropyl N-[(2S)-1-[(2S)-2-[[1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4,4-dimethylpyrrolidin-1-yl]-1-oxo-3-phenylbutan-2-yl]carbamate;propan-2-yl N-[(2S)-1-[(1R,2S)-2-[[1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 161165325

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[(1R,2S,5S)-2-[3-butyl-8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxooctanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]-4,4-dimethylpentanoate;carbon dioxide;3-methylbutan-2-yl (3S)-4-[(1S,2S,5R)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3-(1-methylcyclohexyl)-4-oxobutanoate;2-methylpropyl (3S)-3-cyclohexyl-4-[(1S,2S,5R)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxobutanoate;2-methylpropyl (3S)-3-cyclohexyl-4-[(1S,2S,5R,6R)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-6-ethyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxobutanoate;2-methylpropyl (3S)-4-[(2S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-4,4-dimethylpyrrolidin-1-yl]-3-(4,4-dimethylcyclohexyl)-4-oxobutanoate;2-methylpropyl (3S)-3-[(2S,5S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-5-methylpyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;propan-2-yl (3S)-3-[(2S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-3-(2-methylpropyl)-4,5,8-trioxooctanoyl]-4,4-dimethylpyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;propan-2-yl (3S)-3-[(1R,2S,5S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]-4,4-dimethylpentanoate?
The IUPAC name of tert-butyl (3S)-3-[(1R,2S,5S)-2-[3-butyl-8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxooctanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]-4,4-dimethylpentanoate;carbon dioxide;3-methylbutan-2-yl (3S)-4-[(1S,2S,5R)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3-(1-methylcyclohexyl)-4-oxobutanoate;2-methylpropyl (3S)-3-cyclohexyl-4-[(1S,2S,5R)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxobutanoate;2-methylpropyl (3S)-3-cyclohexyl-4-[(1S,2S,5R,6R)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-6-ethyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxobutanoate;2-methylpropyl (3S)-4-[(2S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-4,4-dimethylpyrrolidin-1-yl]-3-(4,4-dimethylcyclohexyl)-4-oxobutanoate;2-methylpropyl (3S)-3-[(2S,5S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-5-methylpyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;propan-2-yl (3S)-3-[(2S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-3-(2-methylpropyl)-4,5,8-trioxooctanoyl]-4,4-dimethylpyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;propan-2-yl (3S)-3-[(1R,2S,5S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]-4,4-dimethylpentanoate (CID 159682698) is tert-butyl (3S)-3-[(1R,2S,5S)-2-[3-butyl-8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxooctanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]-4,4-dimethylpentanoate;carbon dioxide;3-methylbutan-2-yl (3S)-4-[(1S,2S,5R)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3-(1-methylcyclohexyl)-4-oxobutanoate;2-methylpropyl (3S)-3-cyclohexyl-4-[(1S,2S,5R)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxobutanoate;2-methylpropyl (3S)-3-cyclohexyl-4-[(1S,2S,5R,6R)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-6-ethyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxobutanoate;2-methylpropyl (3S)-4-[(2S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-4,4-dimethylpyrrolidin-1-yl]-3-(4,4-dimethylcyclohexyl)-4-oxobutanoate;2-methylpropyl (3S)-3-[(2S,5S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-5-methylpyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;propan-2-yl (3S)-3-[(2S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-3-(2-methylpropyl)-4,5,8-trioxooctanoyl]-4,4-dimethylpyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;propan-2-yl (3S)-3-[(1R,2S,5S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]-4,4-dimethylpentanoate.
What is the SMILES notation for tert-butyl (3S)-3-[(1R,2S,5S)-2-[3-butyl-8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxooctanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]-4,4-dimethylpentanoate;carbon dioxide;3-methylbutan-2-yl (3S)-4-[(1S,2S,5R)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3-(1-methylcyclohexyl)-4-oxobutanoate;2-methylpropyl (3S)-3-cyclohexyl-4-[(1S,2S,5R)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxobutanoate;2-methylpropyl (3S)-3-cyclohexyl-4-[(1S,2S,5R,6R)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-6-ethyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxobutanoate;2-methylpropyl (3S)-4-[(2S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-4,4-dimethylpyrrolidin-1-yl]-3-(4,4-dimethylcyclohexyl)-4-oxobutanoate;2-methylpropyl (3S)-3-[(2S,5S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-5-methylpyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;propan-2-yl (3S)-3-[(2S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-3-(2-methylpropyl)-4,5,8-trioxooctanoyl]-4,4-dimethylpyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;propan-2-yl (3S)-3-[(1R,2S,5S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]-4,4-dimethylpentanoate?
The canonical SMILES for tert-butyl (3S)-3-[(1R,2S,5S)-2-[3-butyl-8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxooctanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]-4,4-dimethylpentanoate;carbon dioxide;3-methylbutan-2-yl (3S)-4-[(1S,2S,5R)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3-(1-methylcyclohexyl)-4-oxobutanoate;2-methylpropyl (3S)-3-cyclohexyl-4-[(1S,2S,5R)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxobutanoate;2-methylpropyl (3S)-3-cyclohexyl-4-[(1S,2S,5R,6R)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-6-ethyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxobutanoate;2-methylpropyl (3S)-4-[(2S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-4,4-dimethylpyrrolidin-1-yl]-3-(4,4-dimethylcyclohexyl)-4-oxobutanoate;2-methylpropyl (3S)-3-[(2S,5S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-5-methylpyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;propan-2-yl (3S)-3-[(2S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-3-(2-methylpropyl)-4,5,8-trioxooctanoyl]-4,4-dimethylpyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;propan-2-yl (3S)-3-[(1R,2S,5S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]-4,4-dimethylpentanoate is CC(C)CC(CC(=O)[C@@H]1CC(C)(C)CN1C(=O)[C@@H](CC(=O)OC(C)C)C(C)(C)C)C(=O)C(=O)CCC(=O)NC(C(=O)N(C)C)c1ccccc1.CCCC(CC(=O)[C@@H]1CC(C)(C)CN1C(=O)[C@@H](CC(=O)OCC(C)C)C1CCC(C)(C)CC1)C(=O)C(=O)CCC(=O)NC(C(=O)N(C)C)c1ccccc1.CCCC(CC(=O)[C@@H]1CC[C@H](C)N1C(=O)[C@@H](CC(=O)OCC(C)C)C(C)(C)C)C(=O)C(=O)CCC(=O)NC(C(=O)N(C)C)c1ccccc1.CCCC(CC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](CC(=O)OC(C)C)C(C)(C)C)C2(C)C)C(=O)C(=O)CCC(=O)NC(C(=O)N(C)C)c1ccccc1.CCCC(CC(=O)[C@@H]1[C@H]2C[C@H]2CN1C(=O)[C@@H](CC(=O)OC(C)C(C)C)C1(C)CCCCC1)C(=O)C(=O)CCC(=O)NC(C(=O)N(C)C)c1ccccc1.CCCC(CC(=O)[C@@H]1[C@H]2C[C@H]2CN1C(=O)[C@@H](CC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)CCC(=O)NC(C(=O)N(C)C)c1ccccc1.CCCC(CC(=O)[C@@H]1[C@H]2[C@H](CC)[C@H]2CN1C(=O)[C@@H](CC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)CCC(=O)NC(C(=O)N(C)C)c1ccccc1.CCCCC(CC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](CC(=O)OC(C)(C)C)C(C)(C)C)C2(C)C)C(=O)C(=O)CCC(=O)NC(C(=O)N(C)C)c1ccccc1.O=C=O.
What is the InChIKey of tert-butyl (3S)-3-[(1R,2S,5S)-2-[3-butyl-8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxooctanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]-4,4-dimethylpentanoate;carbon dioxide;3-methylbutan-2-yl (3S)-4-[(1S,2S,5R)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3-(1-methylcyclohexyl)-4-oxobutanoate;2-methylpropyl (3S)-3-cyclohexyl-4-[(1S,2S,5R)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxobutanoate;2-methylpropyl (3S)-3-cyclohexyl-4-[(1S,2S,5R,6R)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-6-ethyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxobutanoate;2-methylpropyl (3S)-4-[(2S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-4,4-dimethylpyrrolidin-1-yl]-3-(4,4-dimethylcyclohexyl)-4-oxobutanoate;2-methylpropyl (3S)-3-[(2S,5S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-5-methylpyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;propan-2-yl (3S)-3-[(2S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-3-(2-methylpropyl)-4,5,8-trioxooctanoyl]-4,4-dimethylpyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;propan-2-yl (3S)-3-[(1R,2S,5S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]-4,4-dimethylpentanoate?
The InChIKey is MVKBYAMULKPKFK-DVUWROPUSA-N. The full InChI is InChI=1S/C43H65N3O8.2C42H61N3O8.C41H61N3O8.C40H57N3O8.C39H57N3O8.C39H59N3O8.C38H57N3O8.CO2/c1-10-14-31(39(51)34(47)17-18-36(49)44-38(41(53)45(8)9)30-15-12-11-13-16-30)23-35(48)33-25-43(6,7)27-46(33)40(52)32(24-37(50)54-26-28(2)3)29-19-21-42(4,5)22-20-29;1-8-15-29(39(50)33(46)18-19-35(48)43-37(41(52)44(6)7)28-16-11-9-12-17-28)23-34(47)38-31-22-30(31)25-45(38)40(51)32(42(5)20-13-10-14-21-42)24-36(49)53-27(4)26(2)3;1-7-15-29(40(50)33(46)20-21-35(48)43-38(42(52)44(5)6)28-18-13-10-14-19-28)22-34(47)39-37-30(8-2)32(37)24-45(39)41(51)31(27-16-11-9-12-17-27)23-36(49)53-25-26(3)4;1-12-13-17-26(36(49)29(45)20-21-31(47)42-34(38(51)43(10)11)25-18-15-14-16-19-25)22-30(46)35-33-28(41(33,8)9)24-44(35)37(50)27(39(2,3)4)23-32(48)52-40(5,6)7;1-6-13-28(38(48)32(44)18-19-34(46)41-36(40(50)42(4)5)27-16-11-8-12-17-27)21-33(45)37-30-20-29(30)23-43(37)39(49)31(26-14-9-7-10-15-26)22-35(47)51-24-25(2)3;1-11-15-25(35(47)28(43)18-19-30(45)40-33(37(49)41(9)10)24-16-13-12-14-17-24)20-29(44)34-32-27(39(32,7)8)22-42(34)36(48)26(38(4,5)6)21-31(46)50-23(2)3;1-24(2)19-27(35(47)30(43)17-18-32(45)40-34(37(49)41(10)11)26-15-13-12-14-16-26)20-31(44)29-22-39(8,9)23-42(29)36(48)28(38(5,6)7)21-33(46)50-25(3)4;1-10-14-27(35(46)30(42)19-20-32(44)39-34(37(48)40(8)9)26-15-12-11-13-16-26)21-31(43)29-18-17-25(4)41(29)36(47)28(38(5,6)7)22-33(45)49-23-24(2)3;2-1-3/h11-13,15-16,28-29,31-33,38H,10,14,17-27H2,1-9H3,(H,44,49);9,11-12,16-17,26-27,29-32,37-38H,8,10,13-15,18-25H2,1-7H3,(H,43,48);10,13-14,18-19,26-27,29-32,37-39H,7-9,11-12,15-17,20-25H2,1-6H3,(H,43,48);14-16,18-19,26-28,33-35H,12-13,17,20-24H2,1-11H3,(H,42,47);8,11-12,16-17,25-26,28-31,36-37H,6-7,9-10,13-15,18-24H2,1-5H3,(H,41,46);12-14,16-17,23,25-27,32-34H,11,15,18-22H2,1-10H3,(H,40,45);12-16,24-25,27-29,34H,17-23H2,1-11H3,(H,40,45);11-13,15-16,24-25,27-29,34H,10,14,17-23H2,1-9H3,(H,39,44);/t31?,32-,33-,38?;27?,29?,30-,31-,32+,37?,38-;29?,30-,31+,32-,37+,38?,39-;26?,27-,28+,33+,34?,35-;28?,29-,30-,31-,36?,37-;25?,26-,27+,32+,33?,34-;27?,28-,29+,34?;25-,27?,28+,29-,34?;/m00110110./s1.
What are the key properties of tert-butyl (3S)-3-[(1R,2S,5S)-2-[3-butyl-8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxooctanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]-4,4-dimethylpentanoate;carbon dioxide;3-methylbutan-2-yl (3S)-4-[(1S,2S,5R)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3-(1-methylcyclohexyl)-4-oxobutanoate;2-methylpropyl (3S)-3-cyclohexyl-4-[(1S,2S,5R)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxobutanoate;2-methylpropyl (3S)-3-cyclohexyl-4-[(1S,2S,5R,6R)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-6-ethyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxobutanoate;2-methylpropyl (3S)-4-[(2S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-4,4-dimethylpyrrolidin-1-yl]-3-(4,4-dimethylcyclohexyl)-4-oxobutanoate;2-methylpropyl (3S)-3-[(2S,5S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-5-methylpyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;propan-2-yl (3S)-3-[(2S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-3-(2-methylpropyl)-4,5,8-trioxooctanoyl]-4,4-dimethylpyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;propan-2-yl (3S)-3-[(1R,2S,5S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]-4,4-dimethylpentanoate?
tert-butyl (3S)-3-[(1R,2S,5S)-2-[3-butyl-8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxooctanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]-4,4-dimethylpentanoate;carbon dioxide;3-methylbutan-2-yl (3S)-4-[(1S,2S,5R)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3-(1-methylcyclohexyl)-4-oxobutanoate;2-methylpropyl (3S)-3-cyclohexyl-4-[(1S,2S,5R)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxobutanoate;2-methylpropyl (3S)-3-cyclohexyl-4-[(1S,2S,5R,6R)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-6-ethyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxobutanoate;2-methylpropyl (3S)-4-[(2S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-4,4-dimethylpyrrolidin-1-yl]-3-(4,4-dimethylcyclohexyl)-4-oxobutanoate;2-methylpropyl (3S)-3-[(2S,5S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-5-methylpyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;propan-2-yl (3S)-3-[(2S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-3-(2-methylpropyl)-4,5,8-trioxooctanoyl]-4,4-dimethylpyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;propan-2-yl (3S)-3-[(1R,2S,5S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]-4,4-dimethylpentanoate has a molecular weight of 5777.50 g/mol, XLogP of 41.85, 146 rotatable bonds, 8 hydrogen bond donors, and 66 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-[(1R,2S,5S)-2-[3-butyl-8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxooctanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]-4,4-dimethylpentanoate;carbon dioxide;3-methylbutan-2-yl (3S)-4-[(1S,2S,5R)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3-(1-methylcyclohexyl)-4-oxobutanoate;2-methylpropyl (3S)-3-cyclohexyl-4-[(1S,2S,5R)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxobutanoate;2-methylpropyl (3S)-3-cyclohexyl-4-[(1S,2S,5R,6R)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-6-ethyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxobutanoate;2-methylpropyl (3S)-4-[(2S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-4,4-dimethylpyrrolidin-1-yl]-3-(4,4-dimethylcyclohexyl)-4-oxobutanoate;2-methylpropyl (3S)-3-[(2S,5S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-5-methylpyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;propan-2-yl (3S)-3-[(2S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-3-(2-methylpropyl)-4,5,8-trioxooctanoyl]-4,4-dimethylpyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;propan-2-yl (3S)-3-[(1R,2S,5S)-2-[8-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-4,5,8-trioxo-3-propyloctanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]-4,4-dimethylpentanoate is sourced from PubChem (CID 159682698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).