5-[(1R,2S)-3-[(2S)-6-(benzenesulfonylmethyl)-2-tert-butyl-7,7-dimethyl-4-oxooctanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-(cyclobutylmethyl)-2,5-dioxopentanamide;1-[(1R,2S)-3-[(2S)-2-tert-butyl-5-[1-(tert-butylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-but-3-ynyl-8-methylsulfanyloctane-1,4,5-trione;3-[2-[(1R,2S)-3-[(2S)-2-tert-butyl-5-[1-(tert-butylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-2-oxohexanamide;5-[(1R,2S)-3-[(2S)-2-tert-butyl-4-oxo-5-[1-(pyridin-2-ylsulfonylmethyl)cyclohexyl]pentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-(cyclobutylmethyl)-2,5-dioxopentanamide;1-[(1R,2S)-3-[(2S)-2-cyclohexyl-5-[1-(methylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-propylnonane-1,4,5-trione

C189H293N9O35S6 — CID 158653295

IUPAC5-[(1R,2S)-3-[(2S)-6-(benzenesulfonylmethyl)-2-tert-butyl-7,7-dimethyl-4-oxooctanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-(cyclobutylmethyl)-2,5-dioxopentanamide;1-[(1R,2S)-3-[(2S)-2-tert-butyl-5-[1-(tert-butylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-but-3-ynyl-8-methylsulfanyloctane-1,4,5-trione;3-[2-[(1R,2S)-3-[(2S)-2-tert-butyl-5-[1-(tert-butylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-2-oxohexanamide;5-[(1R,2S)-3-[(2S)-2-tert-butyl-4-oxo-5-[1-(pyridin-2-ylsulfonylmethyl)cyclohexyl]pentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-(cyclobutylmethyl)-2,5-dioxopentanamide;1-[(1R,2S)-3-[(2S)-2-cyclohexyl-5-[1-(methylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-propylnonane-1,4,5-trione
SMILESC#CCCC(CC(=O)[C@@H]1[C@@H]2C(CN1C(=O)[C@@H](CC(=O)CC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)CCCSC.CC(C)(C)C(CC(=O)C[C@H](C(=O)N1CC2[C@@H]([C@H]1C(=O)CC(CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C)CS(=O)(=O)c1ccccc1.CC(C)(C)[C@H](CC(=O)CC1(CS(=O)(=O)c2ccccn2)CCCCC1)C(=O)N1CC2[C@@H]([C@H]1C(=O)CC(CC1CCC1)C(=O)C(N)=O)C2(C)C.CCCC(CC(=O)[C@@H]1[C@@H]2C(CN1C(=O)[C@@H](CC(=O)CC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(N)=O.CCCCC(=O)C(=O)C(CCC)CC(=O)[C@@H]1[C@@H]2C(CN1C(=O)[C@@H](CC(=O)CC1(CS(C)(=O)=O)CCCCC1)C1CCCCC1)C2(C)C
InChIInChI=1S/C40H63NO7S2.C38H55N3O7S.C38H56N2O7S.C38H61NO7S.C35H58N2O7S/c1-11-12-17-27(35(45)31(43)18-16-21-49-10)22-32(44)34-33-30(39(33,8)9)25-41(34)36(46)29(37(2,3)4)23-28(42)24-40(19-14-13-15-20-40)26-50(47,48)38(5,6)7;1-36(2,3)27(20-26(42)21-38(15-8-6-9-16-38)23-49(47,48)30-14-7-10-17-40-30)35(46)41-22-28-31(37(28,4)5)32(41)29(43)19-25(33(44)34(39)45)18-24-12-11-13-24;1-36(2,3)25(22-48(46,47)27-15-10-9-11-16-27)19-26(41)20-28(37(4,5)6)35(45)40-21-29-31(38(29,7)8)32(40)30(42)18-24(33(43)34(39)44)17-23-13-12-14-23;1-6-8-18-31(41)35(43)27(15-7-2)21-32(42)34-33-30(37(33,3)4)24-39(34)36(44)29(26-16-11-9-12-17-26)22-28(40)23-38(25-47(5,45)46)19-13-10-14-20-38;1-10-14-22(29(40)30(36)41)17-26(39)28-27-25(34(27,8)9)20-37(28)31(42)24(32(2,3)4)18-23(38)19-35(15-12-11-13-16-35)21-45(43,44)33(5,6)7/h1,27,29-30,33-34H,12-26H2,2-10H3;7,10,14,17,24-25,27-28,31-32H,6,8-9,11-13,15-16,18-23H2,1-5H3,(H2,39,45);9-11,15-16,23-25,28-29,31-32H,12-14,17-22H2,1-8H3,(H2,39,44);26-27,29-30,33-34H,6-25H2,1-5H3;22,24-25,27-28H,10-21H2,1-9H3,(H2,36,41)/t27?,29-,30?,33+,34-;25?,27-,28?,31+,32-;24?,25?,28-,29?,31+,32-;27?,29-,30?,33-,34+;22?,24-,25?,27+,28-/m11101/s1
InChIKeyIBUYRMRTKORWSJ-BBLYRACQSA-N
MW3443.85 g/mol
LogP29.26
Rot. Bonds80

About 5-[(1R,2S)-3-[(2S)-6-(benzenesulfonylmethyl)-2-tert-butyl-7,7-dimethyl-4-oxooctanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-(cyclobutylmethyl)-2,5-dioxopentanamide;1-[(1R,2S)-3-[(2S)-2-tert-butyl-5-[1-(tert-butylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-but-3-ynyl-8-methylsulfanyloctane-1,4,5-trione;3-[2-[(1R,2S)-3-[(2S)-2-tert-butyl-5-[1-(tert-butylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-2-oxohexanamide;5-[(1R,2S)-3-[(2S)-2-tert-butyl-4-oxo-5-[1-(pyridin-2-ylsulfonylmethyl)cyclohexyl]pentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-(cyclobutylmethyl)-2,5-dioxopentanamide;1-[(1R,2S)-3-[(2S)-2-cyclohexyl-5-[1-(methylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-propylnonane-1,4,5-trione

5-[(1R,2S)-3-[(2S)-6-(benzenesulfonylmethyl)-2-tert-butyl-7,7-dimethyl-4-oxooctanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-(cyclobutylmethyl)-2,5-dioxopentanamide;1-[(1R,2S)-3-[(2S)-2-tert-butyl-5-[1-(tert-butylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-but-3-ynyl-8-methylsulfanyloctane-1,4,5-trione;3-[2-[(1R,2S)-3-[(2S)-2-tert-butyl-5-[1-(tert-butylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-2-oxohexanamide;5-[(1R,2S)-3-[(2S)-2-tert-butyl-4-oxo-5-[1-(pyridin-2-ylsulfonylmethyl)cyclohexyl]pentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-(cyclobutylmethyl)-2,5-dioxopentanamide;1-[(1R,2S)-3-[(2S)-2-cyclohexyl-5-[1-(methylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-propylnonane-1,4,5-trione (PubChem CID 158653295) has the molecular formula C189H293N9O35S6 and a molecular weight of 3443.85 g/mol. Its IUPAC name is 5-[(1R,2S)-3-[(2S)-6-(benzenesulfonylmethyl)-2-tert-butyl-7,7-dimethyl-4-oxooctanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-(cyclobutylmethyl)-2,5-dioxopentanamide;1-[(1R,2S)-3-[(2S)-2-tert-butyl-5-[1-(tert-butylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-but-3-ynyl-8-methylsulfanyloctane-1,4,5-trione;3-[2-[(1R,2S)-3-[(2S)-2-tert-butyl-5-[1-(tert-butylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-2-oxohexanamide;5-[(1R,2S)-3-[(2S)-2-tert-butyl-4-oxo-5-[1-(pyridin-2-ylsulfonylmethyl)cyclohexyl]pentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-(cyclobutylmethyl)-2,5-dioxopentanamide;1-[(1R,2S)-3-[(2S)-2-cyclohexyl-5-[1-(methylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-propylnonane-1,4,5-trione.

Molecular Properties

Compound Name5-[(1R,2S)-3-[(2S)-6-(benzenesulfonylmethyl)-2-tert-butyl-7,7-dimethyl-4-oxooctanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-(cyclobutylmethyl)-2,5-dioxopentanamide;1-[(1R,2S)-3-[(2S)-2-tert-butyl-5-[1-(tert-butylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-but-3-ynyl-8-methylsulfanyloctane-1,4,5-trione;3-[2-[(1R,2S)-3-[(2S)-2-tert-butyl-5-[1-(tert-butylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-2-oxohexanamide;5-[(1R,2S)-3-[(2S)-2-tert-butyl-4-oxo-5-[1-(pyridin-2-ylsulfonylmethyl)cyclohexyl]pentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-(cyclobutylmethyl)-2,5-dioxopentanamide;1-[(1R,2S)-3-[(2S)-2-cyclohexyl-5-[1-(methylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-propylnonane-1,4,5-trione
PubChem CID158653295
Molecular FormulaC189H293N9O35S6
Molecular Weight3443.85 g/mol
Exact Mass3440.97
IUPAC Name5-[(1R,2S)-3-[(2S)-6-(benzenesulfonylmethyl)-2-tert-butyl-7,7-dimethyl-4-oxooctanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-(cyclobutylmethyl)-2,5-dioxopentanamide;1-[(1R,2S)-3-[(2S)-2-tert-butyl-5-[1-(tert-butylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-but-3-ynyl-8-methylsulfanyloctane-1,4,5-trione;3-[2-[(1R,2S)-3-[(2S)-2-tert-butyl-5-[1-(tert-butylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-2-oxohexanamide;5-[(1R,2S)-3-[(2S)-2-tert-butyl-4-oxo-5-[1-(pyridin-2-ylsulfonylmethyl)cyclohexyl]pentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-(cyclobutylmethyl)-2,5-dioxopentanamide;1-[(1R,2S)-3-[(2S)-2-cyclohexyl-5-[1-(methylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-propylnonane-1,4,5-trione
SMILESC#CCCC(CC(=O)[C@@H]1[C@@H]2C(CN1C(=O)[C@@H](CC(=O)CC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)CCCSC.CC(C)(C)C(CC(=O)C[C@H](C(=O)N1CC2[C@@H]([C@H]1C(=O)CC(CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C)CS(=O)(=O)c1ccccc1.CC(C)(C)[C@H](CC(=O)CC1(CS(=O)(=O)c2ccccn2)CCCCC1)C(=O)N1CC2[C@@H]([C@H]1C(=O)CC(CC1CCC1)C(=O)C(N)=O)C2(C)C.CCCC(CC(=O)[C@@H]1[C@@H]2C(CN1C(=O)[C@@H](CC(=O)CC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(N)=O.CCCCC(=O)C(=O)C(CCC)CC(=O)[C@@H]1[C@@H]2C(CN1C(=O)[C@@H](CC(=O)CC1(CS(C)(=O)=O)CCCCC1)C1CCCCC1)C2(C)C
InChIInChI=1S/C40H63NO7S2.C38H55N3O7S.C38H56N2O7S.C38H61NO7S.C35H58N2O7S/c1-11-12-17-27(35(45)31(43)18-16-21-49-10)22-32(44)34-33-30(39(33,8)9)25-41(34)36(46)29(37(2,3)4)23-28(42)24-40(19-14-13-15-20-40)26-50(47,48)38(5,6)7;1-36(2,3)27(20-26(42)21-38(15-8-6-9-16-38)23-49(47,48)30-14-7-10-17-40-30)35(46)41-22-28-31(37(28,4)5)32(41)29(43)19-25(33(44)34(39)45)18-24-12-11-13-24;1-36(2,3)25(22-48(46,47)27-15-10-9-11-16-27)19-26(41)20-28(37(4,5)6)35(45)40-21-29-31(38(29,7)8)32(40)30(42)18-24(33(43)34(39)44)17-23-13-12-14-23;1-6-8-18-31(41)35(43)27(15-7-2)21-32(42)34-33-30(37(33,3)4)24-39(34)36(44)29(26-16-11-9-12-17-26)22-28(40)23-38(25-47(5,45)46)19-13-10-14-20-38;1-10-14-22(29(40)30(36)41)17-26(39)28-27-25(34(27,8)9)20-37(28)31(42)24(32(2,3)4)18-23(38)19-35(15-12-11-13-16-35)21-45(43,44)33(5,6)7/h1,27,29-30,33-34H,12-26H2,2-10H3;7,10,14,17,24-25,27-28,31-32H,6,8-9,11-13,15-16,18-23H2,1-5H3,(H2,39,45);9-11,15-16,23-25,28-29,31-32H,12-14,17-22H2,1-8H3,(H2,39,44);26-27,29-30,33-34H,6-25H2,1-5H3;22,24-25,27-28H,10-21H2,1-9H3,(H2,36,41)/t27?,29-,30?,33+,34-;25?,27-,28?,31+,32-;24?,25?,28-,29?,31+,32-;27?,29-,30?,33-,34+;22?,24-,25?,27+,28-/m11101/s1
InChIKeyIBUYRMRTKORWSJ-BBLYRACQSA-N
XLogP29.26
TPSA704.60 Ų
H-Bond Donors3
H-Bond Acceptors37
Rotatable Bonds80
Heavy Atoms239
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003443.85
LogP ≤ 529.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1037

Analyze 5-[(1R,2S)-3-[(2S)-6-(benzenesulfonylmethyl)-2-tert-butyl-7,7-dimethyl-4-oxooctanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-(cyclobutylmethyl)-2,5-dioxopentanamide;1-[(1R,2S)-3-[(2S)-2-tert-butyl-5-[1-(tert-butylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-but-3-ynyl-8-methylsulfanyloctane-1,4,5-trione;3-[2-[(1R,2S)-3-[(2S)-2-tert-butyl-5-[1-(tert-butylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-2-oxohexanamide;5-[(1R,2S)-3-[(2S)-2-tert-butyl-4-oxo-5-[1-(pyridin-2-ylsulfonylmethyl)cyclohexyl]pentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-(cyclobutylmethyl)-2,5-dioxopentanamide;1-[(1R,2S)-3-[(2S)-2-cyclohexyl-5-[1-(methylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-propylnonane-1,4,5-trione with MolForge

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Related Compounds

5-[(1R,2S)-3-[(2S,6S)-6-(benzenesulfonylmethyl)-2-cyclohexyl-7-methyl-4-oxooctanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-(cyclopropylmethyl)-2,5-dioxopentanamide;5-[(1R,2S)-3-[(2S,6S)-2-tert-butyl-6-(tert-butylsulfonylmethyl)-7,7-dimethyl-4-oxooctanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-(cyclopropylmethyl)-2,5-dioxopentanamide;1-[(1R,2S)-3-[(2S)-2-tert-butyl-5-[1-(cyclopentylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-but-3-ynylnon-8-ene-1,4,5-trione;5-[(1R,2S)-3-[(2S)-2-tert-butyl-5-[1-[(4-hydroxyphenyl)methylsulfonylmethyl]cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-(cyclopropylmethyl)-2,5-dioxopentanamide
CID 159601625
5-[(1R,2S)-3-[(2S)-5-[1-(benzenesulfonylmethyl)cyclohexyl]-2-tert-butyl-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-(cyclopropylmethyl)-2,5-dioxopentanamide
CID 158439170
1-[(1R,2S)-3-[(2S)-5-[1-(benzenesulfonylmethyl)cyclohexyl]-2-tert-butyl-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-but-3-ynylnon-8-ene-1,4,5-trione;1-[(1R,2S)-3-[(2S)-2-tert-butyl-5-[1-(tert-butylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-but-3-ynylheptane-1,4,5-trione;5-[(1R,2S)-3-[(2S,6R)-2-tert-butyl-6-(tert-butylsulfonylmethyl)-6,8-dimethyl-4-oxononanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-(cyclobutylmethyl)-2,5-dioxopentanamide;1-[(1R,2S)-3-[(2S)-2-tert-butyl-5-[1-(3-methylbutylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-(cyclopropylmethyl)non-8-ene-1,4,5-trione
CID 161446692
5-[(1R,2S)-3-[(2S)-5-[1-(benzenesulfonylmethyl)cyclopropyl]-2-tert-butyl-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-(cyclopropylmethyl)-2,5-dioxopentanamide
CID 157190598
1-[(1R,2S)-3-[(2S)-2-tert-butyl-5-[1-(tert-butylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-propylnon-8-ene-1,4,5-trione
CID 158718244
5-[(1R,2S,5S)-3-[(2S)-2-tert-butyl-5-[1-(methylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.1]heptan-2-yl]-3-(cyclobutylmethyl)-2,5-dioxopentanamide
CID 160710876
5-[(1R,2S)-3-[(2S)-2-tert-butyl-4-oxo-5-(1-phenylsulfanylcyclohexyl)pentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-(cyclopropylmethyl)-2,5-dioxopentanamide
CID 160569379
5-[(1R,2S)-3-[(2S,6S)-6-(tert-butylsulfonylmethyl)-2-cyclohexyl-7-methyl-4-oxooctanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-(cyclopropylmethyl)-2,5-dioxopentanamide
CID 158376744
5-[(1R,2S)-3-[(2S)-2-tert-butyl-5-[1-(furan-2-ylmethylsulfanylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-(cyclopropylmethyl)-2,5-dioxopentanamide
CID 158718242
(1R,2S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-3-[(2S)-2-[[(2S)-1-(benzenesulfonyl)-3-methylbutan-2-yl]carbamoylamino]-2-cyclohexylacetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-3-[(2S)-2-[[1-(benzenesulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S)-N-[4-(but-3-enylamino)-1-cyclopropyl-3,4-dioxobutan-2-yl]-3-[(2S)-3,3-dimethyl-2-[[1-(methylsulfonylmethyl)cyclohexyl]carbamoylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[1,2-dioxo-1-(propylamino)hept-6-yn-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S)-3-[(2S)-3,3-dimethyl-2-[[1-(pyridin-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]butanoyl]-6,6-dimethyl-N-[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S)-N-[1,2-dioxo-1-(propylamino)hexan-3-yl]-3-[(2S)-2-[[1-(ethylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 159158481
6-cyclopropyl-3-(cyclopropylmethyl)-1-[(1R,2S)-6,6-dimethyl-3-[(2S)-5-[1-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]-2-(1-methylcyclohexyl)-4-oxopentanoyl]-3-azabicyclo[3.1.0]hexan-2-yl]hexane-1,4,5-trione
CID 159076091
(3S)-5-[(2S)-3-[(2S)-2-tert-butyl-6,6-dimethyl-4-oxoheptanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-(cyclobutylmethyl)-2,5-dioxopentanamide
CID 158756365

Frequently Asked Questions

What is the IUPAC name of 5-[(1R,2S)-3-[(2S)-6-(benzenesulfonylmethyl)-2-tert-butyl-7,7-dimethyl-4-oxooctanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-(cyclobutylmethyl)-2,5-dioxopentanamide;1-[(1R,2S)-3-[(2S)-2-tert-butyl-5-[1-(tert-butylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-but-3-ynyl-8-methylsulfanyloctane-1,4,5-trione;3-[2-[(1R,2S)-3-[(2S)-2-tert-butyl-5-[1-(tert-butylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-2-oxohexanamide;5-[(1R,2S)-3-[(2S)-2-tert-butyl-4-oxo-5-[1-(pyridin-2-ylsulfonylmethyl)cyclohexyl]pentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-(cyclobutylmethyl)-2,5-dioxopentanamide;1-[(1R,2S)-3-[(2S)-2-cyclohexyl-5-[1-(methylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-propylnonane-1,4,5-trione?
The IUPAC name of 5-[(1R,2S)-3-[(2S)-6-(benzenesulfonylmethyl)-2-tert-butyl-7,7-dimethyl-4-oxooctanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-(cyclobutylmethyl)-2,5-dioxopentanamide;1-[(1R,2S)-3-[(2S)-2-tert-butyl-5-[1-(tert-butylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-but-3-ynyl-8-methylsulfanyloctane-1,4,5-trione;3-[2-[(1R,2S)-3-[(2S)-2-tert-butyl-5-[1-(tert-butylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-2-oxohexanamide;5-[(1R,2S)-3-[(2S)-2-tert-butyl-4-oxo-5-[1-(pyridin-2-ylsulfonylmethyl)cyclohexyl]pentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-(cyclobutylmethyl)-2,5-dioxopentanamide;1-[(1R,2S)-3-[(2S)-2-cyclohexyl-5-[1-(methylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-propylnonane-1,4,5-trione (CID 158653295) is 5-[(1R,2S)-3-[(2S)-6-(benzenesulfonylmethyl)-2-tert-butyl-7,7-dimethyl-4-oxooctanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-(cyclobutylmethyl)-2,5-dioxopentanamide;1-[(1R,2S)-3-[(2S)-2-tert-butyl-5-[1-(tert-butylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-but-3-ynyl-8-methylsulfanyloctane-1,4,5-trione;3-[2-[(1R,2S)-3-[(2S)-2-tert-butyl-5-[1-(tert-butylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-2-oxohexanamide;5-[(1R,2S)-3-[(2S)-2-tert-butyl-4-oxo-5-[1-(pyridin-2-ylsulfonylmethyl)cyclohexyl]pentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-(cyclobutylmethyl)-2,5-dioxopentanamide;1-[(1R,2S)-3-[(2S)-2-cyclohexyl-5-[1-(methylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-propylnonane-1,4,5-trione.
What is the SMILES notation for 5-[(1R,2S)-3-[(2S)-6-(benzenesulfonylmethyl)-2-tert-butyl-7,7-dimethyl-4-oxooctanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-(cyclobutylmethyl)-2,5-dioxopentanamide;1-[(1R,2S)-3-[(2S)-2-tert-butyl-5-[1-(tert-butylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-but-3-ynyl-8-methylsulfanyloctane-1,4,5-trione;3-[2-[(1R,2S)-3-[(2S)-2-tert-butyl-5-[1-(tert-butylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-2-oxohexanamide;5-[(1R,2S)-3-[(2S)-2-tert-butyl-4-oxo-5-[1-(pyridin-2-ylsulfonylmethyl)cyclohexyl]pentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-(cyclobutylmethyl)-2,5-dioxopentanamide;1-[(1R,2S)-3-[(2S)-2-cyclohexyl-5-[1-(methylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-propylnonane-1,4,5-trione?
The canonical SMILES for 5-[(1R,2S)-3-[(2S)-6-(benzenesulfonylmethyl)-2-tert-butyl-7,7-dimethyl-4-oxooctanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-(cyclobutylmethyl)-2,5-dioxopentanamide;1-[(1R,2S)-3-[(2S)-2-tert-butyl-5-[1-(tert-butylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-but-3-ynyl-8-methylsulfanyloctane-1,4,5-trione;3-[2-[(1R,2S)-3-[(2S)-2-tert-butyl-5-[1-(tert-butylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-2-oxohexanamide;5-[(1R,2S)-3-[(2S)-2-tert-butyl-4-oxo-5-[1-(pyridin-2-ylsulfonylmethyl)cyclohexyl]pentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-(cyclobutylmethyl)-2,5-dioxopentanamide;1-[(1R,2S)-3-[(2S)-2-cyclohexyl-5-[1-(methylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-propylnonane-1,4,5-trione is C#CCCC(CC(=O)[C@@H]1[C@@H]2C(CN1C(=O)[C@@H](CC(=O)CC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)CCCSC.CC(C)(C)C(CC(=O)C[C@H](C(=O)N1CC2[C@@H]([C@H]1C(=O)CC(CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C)CS(=O)(=O)c1ccccc1.CC(C)(C)[C@H](CC(=O)CC1(CS(=O)(=O)c2ccccn2)CCCCC1)C(=O)N1CC2[C@@H]([C@H]1C(=O)CC(CC1CCC1)C(=O)C(N)=O)C2(C)C.CCCC(CC(=O)[C@@H]1[C@@H]2C(CN1C(=O)[C@@H](CC(=O)CC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(N)=O.CCCCC(=O)C(=O)C(CCC)CC(=O)[C@@H]1[C@@H]2C(CN1C(=O)[C@@H](CC(=O)CC1(CS(C)(=O)=O)CCCCC1)C1CCCCC1)C2(C)C.
What is the InChIKey of 5-[(1R,2S)-3-[(2S)-6-(benzenesulfonylmethyl)-2-tert-butyl-7,7-dimethyl-4-oxooctanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-(cyclobutylmethyl)-2,5-dioxopentanamide;1-[(1R,2S)-3-[(2S)-2-tert-butyl-5-[1-(tert-butylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-but-3-ynyl-8-methylsulfanyloctane-1,4,5-trione;3-[2-[(1R,2S)-3-[(2S)-2-tert-butyl-5-[1-(tert-butylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-2-oxohexanamide;5-[(1R,2S)-3-[(2S)-2-tert-butyl-4-oxo-5-[1-(pyridin-2-ylsulfonylmethyl)cyclohexyl]pentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-(cyclobutylmethyl)-2,5-dioxopentanamide;1-[(1R,2S)-3-[(2S)-2-cyclohexyl-5-[1-(methylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-propylnonane-1,4,5-trione?
The InChIKey is IBUYRMRTKORWSJ-BBLYRACQSA-N. The full InChI is InChI=1S/C40H63NO7S2.C38H55N3O7S.C38H56N2O7S.C38H61NO7S.C35H58N2O7S/c1-11-12-17-27(35(45)31(43)18-16-21-49-10)22-32(44)34-33-30(39(33,8)9)25-41(34)36(46)29(37(2,3)4)23-28(42)24-40(19-14-13-15-20-40)26-50(47,48)38(5,6)7;1-36(2,3)27(20-26(42)21-38(15-8-6-9-16-38)23-49(47,48)30-14-7-10-17-40-30)35(46)41-22-28-31(37(28,4)5)32(41)29(43)19-25(33(44)34(39)45)18-24-12-11-13-24;1-36(2,3)25(22-48(46,47)27-15-10-9-11-16-27)19-26(41)20-28(37(4,5)6)35(45)40-21-29-31(38(29,7)8)32(40)30(42)18-24(33(43)34(39)44)17-23-13-12-14-23;1-6-8-18-31(41)35(43)27(15-7-2)21-32(42)34-33-30(37(33,3)4)24-39(34)36(44)29(26-16-11-9-12-17-26)22-28(40)23-38(25-47(5,45)46)19-13-10-14-20-38;1-10-14-22(29(40)30(36)41)17-26(39)28-27-25(34(27,8)9)20-37(28)31(42)24(32(2,3)4)18-23(38)19-35(15-12-11-13-16-35)21-45(43,44)33(5,6)7/h1,27,29-30,33-34H,12-26H2,2-10H3;7,10,14,17,24-25,27-28,31-32H,6,8-9,11-13,15-16,18-23H2,1-5H3,(H2,39,45);9-11,15-16,23-25,28-29,31-32H,12-14,17-22H2,1-8H3,(H2,39,44);26-27,29-30,33-34H,6-25H2,1-5H3;22,24-25,27-28H,10-21H2,1-9H3,(H2,36,41)/t27?,29-,30?,33+,34-;25?,27-,28?,31+,32-;24?,25?,28-,29?,31+,32-;27?,29-,30?,33-,34+;22?,24-,25?,27+,28-/m11101/s1.
What are the key properties of 5-[(1R,2S)-3-[(2S)-6-(benzenesulfonylmethyl)-2-tert-butyl-7,7-dimethyl-4-oxooctanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-(cyclobutylmethyl)-2,5-dioxopentanamide;1-[(1R,2S)-3-[(2S)-2-tert-butyl-5-[1-(tert-butylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-but-3-ynyl-8-methylsulfanyloctane-1,4,5-trione;3-[2-[(1R,2S)-3-[(2S)-2-tert-butyl-5-[1-(tert-butylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-2-oxohexanamide;5-[(1R,2S)-3-[(2S)-2-tert-butyl-4-oxo-5-[1-(pyridin-2-ylsulfonylmethyl)cyclohexyl]pentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-(cyclobutylmethyl)-2,5-dioxopentanamide;1-[(1R,2S)-3-[(2S)-2-cyclohexyl-5-[1-(methylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-propylnonane-1,4,5-trione?
5-[(1R,2S)-3-[(2S)-6-(benzenesulfonylmethyl)-2-tert-butyl-7,7-dimethyl-4-oxooctanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-(cyclobutylmethyl)-2,5-dioxopentanamide;1-[(1R,2S)-3-[(2S)-2-tert-butyl-5-[1-(tert-butylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-but-3-ynyl-8-methylsulfanyloctane-1,4,5-trione;3-[2-[(1R,2S)-3-[(2S)-2-tert-butyl-5-[1-(tert-butylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-2-oxohexanamide;5-[(1R,2S)-3-[(2S)-2-tert-butyl-4-oxo-5-[1-(pyridin-2-ylsulfonylmethyl)cyclohexyl]pentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-(cyclobutylmethyl)-2,5-dioxopentanamide;1-[(1R,2S)-3-[(2S)-2-cyclohexyl-5-[1-(methylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-propylnonane-1,4,5-trione has a molecular weight of 3443.85 g/mol, XLogP of 29.26, 80 rotatable bonds, 3 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,2S)-3-[(2S)-6-(benzenesulfonylmethyl)-2-tert-butyl-7,7-dimethyl-4-oxooctanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-(cyclobutylmethyl)-2,5-dioxopentanamide;1-[(1R,2S)-3-[(2S)-2-tert-butyl-5-[1-(tert-butylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-but-3-ynyl-8-methylsulfanyloctane-1,4,5-trione;3-[2-[(1R,2S)-3-[(2S)-2-tert-butyl-5-[1-(tert-butylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-2-oxohexanamide;5-[(1R,2S)-3-[(2S)-2-tert-butyl-4-oxo-5-[1-(pyridin-2-ylsulfonylmethyl)cyclohexyl]pentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-(cyclobutylmethyl)-2,5-dioxopentanamide;1-[(1R,2S)-3-[(2S)-2-cyclohexyl-5-[1-(methylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-propylnonane-1,4,5-trione is sourced from PubChem (CID 158653295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).