1-[1-[3-[(3R,14R,17S,18R,20S)-14-(3-cyclopropyl-2-oxopropanoyl)-19,19-dimethyl-2,16-dioxo-1-azatricyclo[15.4.0.018,20]henicosan-3-yl]-2-oxopropyl]cyclohexyl]-N,N-dimethylmethanesulfonamide;1-[1-[3-[(3R,12R,15S,16R,18S)-12-(3-cyclopropyl-2-oxopropanoyl)-17,17-dimethyl-2,14-dioxo-1-azatricyclo[13.4.0.016,18]nonadecan-3-yl]-2-oxopropyl]cyclohexyl]-N,N-dimethylmethanesulfonamide;(3R,14R,17S,18R,20S)-14-(3-cyclopropyl-2-oxopropanoyl)-19,19-dimethyl-3-[3-[1-[(5S)-2-methyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]-2-oxopropyl]-1-azatricyclo[15.4.0.018,20]henicosane-2,16-dione;(3R,12R,15S,16R,18S)-12-(3-cyclopropyl-2-oxopropanoyl)-17,17-dimethyl-3-[3-[1-[(5S)-2-methyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]-2-oxopropyl]-1-azatricyclo[13.4.0.016,18]nonadecane-2,14-dione;2-[(3R,12R,15S,16R,18S)-17,17-dimethyl-3-[3-[1-[(5S)-2-methyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]-2-oxopropyl]-2,14-dioxo-1-azatricyclo[13.4.0.016,18]nonadecan-12-yl]-2-oxo-N-propylacetamide

C196H309N11O35S5 — CID 158219829

IUPAC1-[1-[3-[(3R,14R,17S,18R,20S)-14-(3-cyclopropyl-2-oxopropanoyl)-19,19-dimethyl-2,16-dioxo-1-azatricyclo[15.4.0.018,20]henicosan-3-yl]-2-oxopropyl]cyclohexyl]-N,N-dimethylmethanesulfonamide;1-[1-[3-[(3R,12R,15S,16R,18S)-12-(3-cyclopropyl-2-oxopropanoyl)-17,17-dimethyl-2,14-dioxo-1-azatricyclo[13.4.0.016,18]nonadecan-3-yl]-2-oxopropyl]cyclohexyl]-N,N-dimethylmethanesulfonamide;(3R,14R,17S,18R,20S)-14-(3-cyclopropyl-2-oxopropanoyl)-19,19-dimethyl-3-[3-[1-[(5S)-2-methyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]-2-oxopropyl]-1-azatricyclo[15.4.0.018,20]henicosane-2,16-dione;(3R,12R,15S,16R,18S)-12-(3-cyclopropyl-2-oxopropanoyl)-17,17-dimethyl-3-[3-[1-[(5S)-2-methyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]-2-oxopropyl]-1-azatricyclo[13.4.0.016,18]nonadecane-2,14-dione;2-[(3R,12R,15S,16R,18S)-17,17-dimethyl-3-[3-[1-[(5S)-2-methyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]-2-oxopropyl]-2,14-dioxo-1-azatricyclo[13.4.0.016,18]nonadecan-12-yl]-2-oxo-N-propylacetamide
SMILESCCCNC(=O)C(=O)[C@@H]1CCCCCCCC[C@H](CC(=O)CC2([C@@H]3CCN(C)S3(=O)=O)CCCCC2)C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)C1)C3(C)C.CN(C)S(=O)(=O)CC1(CC(=O)C[C@H]2CCCCCCCCCC[C@@H](C(=O)C(=O)CC3CC3)CC(=O)[C@@H]3[C@@H]4[C@H](CN3C2=O)C4(C)C)CCCCC1.CN(C)S(=O)(=O)CC1(CC(=O)C[C@H]2CCCCCCCC[C@@H](C(=O)C(=O)CC3CC3)CC(=O)[C@@H]3[C@@H]4[C@H](CN3C2=O)C4(C)C)CCCCC1.CN1CC[C@@H](C2(CC(=O)C[C@H]3CCCCCCCCCC[C@@H](C(=O)C(=O)CC4CC4)CC(=O)[C@@H]4[C@@H]5[C@H](CN4C3=O)C5(C)C)CCCCC2)S1(=O)=O.CN1CC[C@@H](C2(CC(=O)C[C@H]3CCCCCCCC[C@@H](C(=O)C(=O)CC4CC4)CC(=O)[C@@H]4[C@@H]5[C@H](CN4C3=O)C5(C)C)CCCCC2)S1(=O)=O
InChIInChI=1S/C41H64N2O7S.C40H64N2O7S.C39H60N2O7S.C38H61N3O7S.C38H60N2O7S/c1-40(2)32-27-43-37(36(32)40)33(45)25-29(38(47)34(46)23-28-17-18-28)15-11-8-6-4-5-7-9-12-16-30(39(43)48)24-31(44)26-41(20-13-10-14-21-41)35-19-22-42(3)51(35,49)50;1-39(2)32-26-42-36(35(32)39)33(44)24-29(37(46)34(45)22-28-18-19-28)16-12-9-7-5-6-8-10-13-17-30(38(42)47)23-31(43)25-40(20-14-11-15-21-40)27-50(48,49)41(3)4;1-38(2)30-25-41-35(34(30)38)31(43)23-27(36(45)32(44)21-26-15-16-26)13-9-6-4-5-7-10-14-28(37(41)46)22-29(42)24-39(18-11-8-12-19-39)33-17-20-40(3)49(33,47)48;1-5-20-39-35(45)34(44)26-15-11-8-6-7-9-12-16-27(36(46)41-25-29-32(37(29,2)3)33(41)30(43)23-26)22-28(42)24-38(18-13-10-14-19-38)31-17-21-40(4)49(31,47)48;1-37(2)30-24-40-34(33(30)37)31(42)22-27(35(44)32(43)20-26-16-17-26)14-10-7-5-6-8-11-15-28(36(40)45)21-29(41)23-38(18-12-9-13-19-38)25-48(46,47)39(3)4/h28-30,32,35-37H,4-27H2,1-3H3;28-30,32,35-36H,5-27H2,1-4H3;26-28,30,33-35H,4-25H2,1-3H3;26-27,29,31-33H,5-25H2,1-4H3,(H,39,45);26-28,30,33-34H,5-25H2,1-4H3/t29-,30-,32+,35+,36+,37-;29-,30-,32+,35+,36-;27-,28-,30+,33+,34+,35-;26-,27-,29+,31+,32+,33-;27-,28-,30+,33+,34-/m11111/s1
InChIKeyGDCNVQXJWQCUNS-MBAXDNLMSA-N
MW3540.01 g/mol
LogP30.77
Rot. Bonds49

About 1-[1-[3-[(3R,14R,17S,18R,20S)-14-(3-cyclopropyl-2-oxopropanoyl)-19,19-dimethyl-2,16-dioxo-1-azatricyclo[15.4.0.018,20]henicosan-3-yl]-2-oxopropyl]cyclohexyl]-N,N-dimethylmethanesulfonamide;1-[1-[3-[(3R,12R,15S,16R,18S)-12-(3-cyclopropyl-2-oxopropanoyl)-17,17-dimethyl-2,14-dioxo-1-azatricyclo[13.4.0.016,18]nonadecan-3-yl]-2-oxopropyl]cyclohexyl]-N,N-dimethylmethanesulfonamide;(3R,14R,17S,18R,20S)-14-(3-cyclopropyl-2-oxopropanoyl)-19,19-dimethyl-3-[3-[1-[(5S)-2-methyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]-2-oxopropyl]-1-azatricyclo[15.4.0.018,20]henicosane-2,16-dione;(3R,12R,15S,16R,18S)-12-(3-cyclopropyl-2-oxopropanoyl)-17,17-dimethyl-3-[3-[1-[(5S)-2-methyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]-2-oxopropyl]-1-azatricyclo[13.4.0.016,18]nonadecane-2,14-dione;2-[(3R,12R,15S,16R,18S)-17,17-dimethyl-3-[3-[1-[(5S)-2-methyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]-2-oxopropyl]-2,14-dioxo-1-azatricyclo[13.4.0.016,18]nonadecan-12-yl]-2-oxo-N-propylacetamide

1-[1-[3-[(3R,14R,17S,18R,20S)-14-(3-cyclopropyl-2-oxopropanoyl)-19,19-dimethyl-2,16-dioxo-1-azatricyclo[15.4.0.018,20]henicosan-3-yl]-2-oxopropyl]cyclohexyl]-N,N-dimethylmethanesulfonamide;1-[1-[3-[(3R,12R,15S,16R,18S)-12-(3-cyclopropyl-2-oxopropanoyl)-17,17-dimethyl-2,14-dioxo-1-azatricyclo[13.4.0.016,18]nonadecan-3-yl]-2-oxopropyl]cyclohexyl]-N,N-dimethylmethanesulfonamide;(3R,14R,17S,18R,20S)-14-(3-cyclopropyl-2-oxopropanoyl)-19,19-dimethyl-3-[3-[1-[(5S)-2-methyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]-2-oxopropyl]-1-azatricyclo[15.4.0.018,20]henicosane-2,16-dione;(3R,12R,15S,16R,18S)-12-(3-cyclopropyl-2-oxopropanoyl)-17,17-dimethyl-3-[3-[1-[(5S)-2-methyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]-2-oxopropyl]-1-azatricyclo[13.4.0.016,18]nonadecane-2,14-dione;2-[(3R,12R,15S,16R,18S)-17,17-dimethyl-3-[3-[1-[(5S)-2-methyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]-2-oxopropyl]-2,14-dioxo-1-azatricyclo[13.4.0.016,18]nonadecan-12-yl]-2-oxo-N-propylacetamide (PubChem CID 158219829) has the molecular formula C196H309N11O35S5 and a molecular weight of 3540.01 g/mol. Its IUPAC name is 1-[1-[3-[(3R,14R,17S,18R,20S)-14-(3-cyclopropyl-2-oxopropanoyl)-19,19-dimethyl-2,16-dioxo-1-azatricyclo[15.4.0.018,20]henicosan-3-yl]-2-oxopropyl]cyclohexyl]-N,N-dimethylmethanesulfonamide;1-[1-[3-[(3R,12R,15S,16R,18S)-12-(3-cyclopropyl-2-oxopropanoyl)-17,17-dimethyl-2,14-dioxo-1-azatricyclo[13.4.0.016,18]nonadecan-3-yl]-2-oxopropyl]cyclohexyl]-N,N-dimethylmethanesulfonamide;(3R,14R,17S,18R,20S)-14-(3-cyclopropyl-2-oxopropanoyl)-19,19-dimethyl-3-[3-[1-[(5S)-2-methyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]-2-oxopropyl]-1-azatricyclo[15.4.0.018,20]henicosane-2,16-dione;(3R,12R,15S,16R,18S)-12-(3-cyclopropyl-2-oxopropanoyl)-17,17-dimethyl-3-[3-[1-[(5S)-2-methyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]-2-oxopropyl]-1-azatricyclo[13.4.0.016,18]nonadecane-2,14-dione;2-[(3R,12R,15S,16R,18S)-17,17-dimethyl-3-[3-[1-[(5S)-2-methyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]-2-oxopropyl]-2,14-dioxo-1-azatricyclo[13.4.0.016,18]nonadecan-12-yl]-2-oxo-N-propylacetamide.

Molecular Properties

Compound Name1-[1-[3-[(3R,14R,17S,18R,20S)-14-(3-cyclopropyl-2-oxopropanoyl)-19,19-dimethyl-2,16-dioxo-1-azatricyclo[15.4.0.018,20]henicosan-3-yl]-2-oxopropyl]cyclohexyl]-N,N-dimethylmethanesulfonamide;1-[1-[3-[(3R,12R,15S,16R,18S)-12-(3-cyclopropyl-2-oxopropanoyl)-17,17-dimethyl-2,14-dioxo-1-azatricyclo[13.4.0.016,18]nonadecan-3-yl]-2-oxopropyl]cyclohexyl]-N,N-dimethylmethanesulfonamide;(3R,14R,17S,18R,20S)-14-(3-cyclopropyl-2-oxopropanoyl)-19,19-dimethyl-3-[3-[1-[(5S)-2-methyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]-2-oxopropyl]-1-azatricyclo[15.4.0.018,20]henicosane-2,16-dione;(3R,12R,15S,16R,18S)-12-(3-cyclopropyl-2-oxopropanoyl)-17,17-dimethyl-3-[3-[1-[(5S)-2-methyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]-2-oxopropyl]-1-azatricyclo[13.4.0.016,18]nonadecane-2,14-dione;2-[(3R,12R,15S,16R,18S)-17,17-dimethyl-3-[3-[1-[(5S)-2-methyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]-2-oxopropyl]-2,14-dioxo-1-azatricyclo[13.4.0.016,18]nonadecan-12-yl]-2-oxo-N-propylacetamide
PubChem CID158219829
Molecular FormulaC196H309N11O35S5
Molecular Weight3540.01 g/mol
Exact Mass3537.13
IUPAC Name1-[1-[3-[(3R,14R,17S,18R,20S)-14-(3-cyclopropyl-2-oxopropanoyl)-19,19-dimethyl-2,16-dioxo-1-azatricyclo[15.4.0.018,20]henicosan-3-yl]-2-oxopropyl]cyclohexyl]-N,N-dimethylmethanesulfonamide;1-[1-[3-[(3R,12R,15S,16R,18S)-12-(3-cyclopropyl-2-oxopropanoyl)-17,17-dimethyl-2,14-dioxo-1-azatricyclo[13.4.0.016,18]nonadecan-3-yl]-2-oxopropyl]cyclohexyl]-N,N-dimethylmethanesulfonamide;(3R,14R,17S,18R,20S)-14-(3-cyclopropyl-2-oxopropanoyl)-19,19-dimethyl-3-[3-[1-[(5S)-2-methyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]-2-oxopropyl]-1-azatricyclo[15.4.0.018,20]henicosane-2,16-dione;(3R,12R,15S,16R,18S)-12-(3-cyclopropyl-2-oxopropanoyl)-17,17-dimethyl-3-[3-[1-[(5S)-2-methyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]-2-oxopropyl]-1-azatricyclo[13.4.0.016,18]nonadecane-2,14-dione;2-[(3R,12R,15S,16R,18S)-17,17-dimethyl-3-[3-[1-[(5S)-2-methyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]-2-oxopropyl]-2,14-dioxo-1-azatricyclo[13.4.0.016,18]nonadecan-12-yl]-2-oxo-N-propylacetamide
SMILESCCCNC(=O)C(=O)[C@@H]1CCCCCCCC[C@H](CC(=O)CC2([C@@H]3CCN(C)S3(=O)=O)CCCCC2)C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)C1)C3(C)C.CN(C)S(=O)(=O)CC1(CC(=O)C[C@H]2CCCCCCCCCC[C@@H](C(=O)C(=O)CC3CC3)CC(=O)[C@@H]3[C@@H]4[C@H](CN3C2=O)C4(C)C)CCCCC1.CN(C)S(=O)(=O)CC1(CC(=O)C[C@H]2CCCCCCCC[C@@H](C(=O)C(=O)CC3CC3)CC(=O)[C@@H]3[C@@H]4[C@H](CN3C2=O)C4(C)C)CCCCC1.CN1CC[C@@H](C2(CC(=O)C[C@H]3CCCCCCCCCC[C@@H](C(=O)C(=O)CC4CC4)CC(=O)[C@@H]4[C@@H]5[C@H](CN4C3=O)C5(C)C)CCCCC2)S1(=O)=O.CN1CC[C@@H](C2(CC(=O)C[C@H]3CCCCCCCC[C@@H](C(=O)C(=O)CC4CC4)CC(=O)[C@@H]4[C@@H]5[C@H](CN4C3=O)C5(C)C)CCCCC2)S1(=O)=O
InChIInChI=1S/C41H64N2O7S.C40H64N2O7S.C39H60N2O7S.C38H61N3O7S.C38H60N2O7S/c1-40(2)32-27-43-37(36(32)40)33(45)25-29(38(47)34(46)23-28-17-18-28)15-11-8-6-4-5-7-9-12-16-30(39(43)48)24-31(44)26-41(20-13-10-14-21-41)35-19-22-42(3)51(35,49)50;1-39(2)32-26-42-36(35(32)39)33(44)24-29(37(46)34(45)22-28-18-19-28)16-12-9-7-5-6-8-10-13-17-30(38(42)47)23-31(43)25-40(20-14-11-15-21-40)27-50(48,49)41(3)4;1-38(2)30-25-41-35(34(30)38)31(43)23-27(36(45)32(44)21-26-15-16-26)13-9-6-4-5-7-10-14-28(37(41)46)22-29(42)24-39(18-11-8-12-19-39)33-17-20-40(3)49(33,47)48;1-5-20-39-35(45)34(44)26-15-11-8-6-7-9-12-16-27(36(46)41-25-29-32(37(29,2)3)33(41)30(43)23-26)22-28(42)24-38(18-13-10-14-19-38)31-17-21-40(4)49(31,47)48;1-37(2)30-24-40-34(33(30)37)31(42)22-27(35(44)32(43)20-26-16-17-26)14-10-7-5-6-8-11-15-28(36(40)45)21-29(41)23-38(18-12-9-13-19-38)25-48(46,47)39(3)4/h28-30,32,35-37H,4-27H2,1-3H3;28-30,32,35-36H,5-27H2,1-4H3;26-28,30,33-35H,4-25H2,1-3H3;26-27,29,31-33H,5-25H2,1-4H3,(H,39,45);26-28,30,33-34H,5-25H2,1-4H3/t29-,30-,32+,35+,36+,37-;29-,30-,32+,35+,36-;27-,28-,30+,33+,34+,35-;26-,27-,29+,31+,32+,33-;27-,28-,30+,33+,34-/m11111/s1
InChIKeyGDCNVQXJWQCUNS-MBAXDNLMSA-N
XLogP30.77
TPSA641.88 Ų
H-Bond Donors1
H-Bond Acceptors35
Rotatable Bonds49
Heavy Atoms247
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003540.01
LogP ≤ 530.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1035

Analyze 1-[1-[3-[(3R,14R,17S,18R,20S)-14-(3-cyclopropyl-2-oxopropanoyl)-19,19-dimethyl-2,16-dioxo-1-azatricyclo[15.4.0.018,20]henicosan-3-yl]-2-oxopropyl]cyclohexyl]-N,N-dimethylmethanesulfonamide;1-[1-[3-[(3R,12R,15S,16R,18S)-12-(3-cyclopropyl-2-oxopropanoyl)-17,17-dimethyl-2,14-dioxo-1-azatricyclo[13.4.0.016,18]nonadecan-3-yl]-2-oxopropyl]cyclohexyl]-N,N-dimethylmethanesulfonamide;(3R,14R,17S,18R,20S)-14-(3-cyclopropyl-2-oxopropanoyl)-19,19-dimethyl-3-[3-[1-[(5S)-2-methyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]-2-oxopropyl]-1-azatricyclo[15.4.0.018,20]henicosane-2,16-dione;(3R,12R,15S,16R,18S)-12-(3-cyclopropyl-2-oxopropanoyl)-17,17-dimethyl-3-[3-[1-[(5S)-2-methyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]-2-oxopropyl]-1-azatricyclo[13.4.0.016,18]nonadecane-2,14-dione;2-[(3R,12R,15S,16R,18S)-17,17-dimethyl-3-[3-[1-[(5S)-2-methyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]-2-oxopropyl]-2,14-dioxo-1-azatricyclo[13.4.0.016,18]nonadecan-12-yl]-2-oxo-N-propylacetamide with MolForge

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Related Compounds

CID 157293004
CID 157293004
CID 157545688
CID 157545688
2-[(3R,13R,16S,17R,19S)-3-[3-[1-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxopropyl]-7,7-difluoro-18,18-dimethyl-2,15-dioxo-1-azatricyclo[14.4.0.017,19]icosan-13-yl]-N-cyclopropyl-2-oxoacetamide;(3R,13R,16S,17R,19S)-13-(3-cyclopropyl-2-oxopropanoyl)-3-[(4S)-4-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-5,5-dimethyl-2-oxohexyl]-9,9-difluoro-18,18-dimethyl-1-azatricyclo[14.4.0.017,19]icosane-2,15-dione;(3R,13R,16S,17R,19S)-13-(3-cyclopropyl-2-oxopropanoyl)-3-[(4S)-4-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-5,5-dimethyl-2-oxohexyl]-10,10-difluoro-18,18-dimethyl-1-azatricyclo[14.4.0.017,19]icosane-2,15-dione;(3R,13R,16S,17R,19S)-13-(3-cyclopropyl-2-oxopropanoyl)-3-[3-[1-(1,1-dioxothiolan-2-yl)cyclohexyl]-2-oxopropyl]-8,8-difluoro-18,18-dimethyl-1-azatricyclo[14.4.0.017,19]icosane-2,15-dione
CID 160118269
CID 157494449
CID 157494449
CID 157641043
CID 157641043
(3R,13R,16S,17R,19S)-3-[3-[1-[(1R)-1-tert-butylsulfonylethyl]cyclohexyl]-2-oxopropyl]-13-(3-cyclopropyl-2-oxopropanoyl)-18,18-dimethyl-1-azatricyclo[14.4.0.017,19]icosane-2,15-dione;(3R,14R,17S,18R,20S)-14-(3-cyclopropyl-2-oxopropanoyl)-3-[3-[1-(3,3-dioxo-1,3-oxathiolan-2-yl)cyclohexyl]-2-oxopropyl]-19,19-dimethyl-1-azatricyclo[15.4.0.018,20]henicosane-2,16-dione;bis((3R,12R,15S,16R,18S)-12-(3-cyclopropyl-2-oxopropanoyl)-3-[3-[1-(3,3-dioxo-1,3-oxathiolan-2-yl)cyclohexyl]-2-oxopropyl]-17,17-dimethyl-1-azatricyclo[13.4.0.016,18]nonadecane-2,14-dione);2-[(3R,13R,16S,17R,19S)-3-[3-[1-[(1-ethoxy-2-methylpropan-2-yl)sulfonylmethyl]cyclohexyl]-2-oxopropyl]-18,18-dimethyl-2,15-dioxo-1-azatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxo-N-propylacetamide
CID 157687877
CID 157761612
CID 157761612
CID 157914576
CID 157914576
(3R)-3-butyl-1-[(1R,2S,5S)-3-[(2S)-5-[1-(tert-butylsulfonylmethyl)cyclohexyl]-2-(1-methylcyclohexyl)-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-6-cyclopropylhexane-1,4,5-trione;(3R)-5-[(1R,2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-N-cyclopropyl-3-(2-cyclopropylethyl)-2,5-dioxopentanamide;(3S)-5-[(1R,2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-N-cyclopropyl-3-(2-cyclopropylethyl)-2,5-dioxopentanamide;(3R)-3-[2-[(1R,2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-N-cyclopropyl-2-oxoheptanamide
CID 158052583
CID 158413119
CID 158413119
(3R)-3-butyl-1-[(1R,2S,5S)-3-[(2S)-2-tert-butyl-5-[1-[(2S)-1,1-dioxothiolan-2-yl]cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]non-8-ene-1,4,5-trione;(3R)-1-[(1R,2S,5S)-3-[(2S)-2-tert-butyl-5-[1-(tert-butylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-(2-cyclopropylethyl)non-8-ene-1,4,5-trione;(3R)-1-[(1R,2S,5S)-3-[(2S)-2-tert-butyl-5-[1-(tert-butylsulfonylmethyl)cyclohexyl]-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-6-cyclopropyl-3-propylhexane-1,4,5-trione;(3R)-5-[(1R,2S,5S)-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;(3R)-1-[(1R,2S,5S)-3-[(2S)-5-[1-(tert-butylsulfonylmethyl)cyclohexyl]-2-(1-methylcyclohexyl)-4-oxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-(cyclopropylmethyl)non-8-ene-1,4,5-trione
CID 158444546
CID 158605590
CID 158605590

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-[(3R,14R,17S,18R,20S)-14-(3-cyclopropyl-2-oxopropanoyl)-19,19-dimethyl-2,16-dioxo-1-azatricyclo[15.4.0.018,20]henicosan-3-yl]-2-oxopropyl]cyclohexyl]-N,N-dimethylmethanesulfonamide;1-[1-[3-[(3R,12R,15S,16R,18S)-12-(3-cyclopropyl-2-oxopropanoyl)-17,17-dimethyl-2,14-dioxo-1-azatricyclo[13.4.0.016,18]nonadecan-3-yl]-2-oxopropyl]cyclohexyl]-N,N-dimethylmethanesulfonamide;(3R,14R,17S,18R,20S)-14-(3-cyclopropyl-2-oxopropanoyl)-19,19-dimethyl-3-[3-[1-[(5S)-2-methyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]-2-oxopropyl]-1-azatricyclo[15.4.0.018,20]henicosane-2,16-dione;(3R,12R,15S,16R,18S)-12-(3-cyclopropyl-2-oxopropanoyl)-17,17-dimethyl-3-[3-[1-[(5S)-2-methyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]-2-oxopropyl]-1-azatricyclo[13.4.0.016,18]nonadecane-2,14-dione;2-[(3R,12R,15S,16R,18S)-17,17-dimethyl-3-[3-[1-[(5S)-2-methyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]-2-oxopropyl]-2,14-dioxo-1-azatricyclo[13.4.0.016,18]nonadecan-12-yl]-2-oxo-N-propylacetamide?
The IUPAC name of 1-[1-[3-[(3R,14R,17S,18R,20S)-14-(3-cyclopropyl-2-oxopropanoyl)-19,19-dimethyl-2,16-dioxo-1-azatricyclo[15.4.0.018,20]henicosan-3-yl]-2-oxopropyl]cyclohexyl]-N,N-dimethylmethanesulfonamide;1-[1-[3-[(3R,12R,15S,16R,18S)-12-(3-cyclopropyl-2-oxopropanoyl)-17,17-dimethyl-2,14-dioxo-1-azatricyclo[13.4.0.016,18]nonadecan-3-yl]-2-oxopropyl]cyclohexyl]-N,N-dimethylmethanesulfonamide;(3R,14R,17S,18R,20S)-14-(3-cyclopropyl-2-oxopropanoyl)-19,19-dimethyl-3-[3-[1-[(5S)-2-methyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]-2-oxopropyl]-1-azatricyclo[15.4.0.018,20]henicosane-2,16-dione;(3R,12R,15S,16R,18S)-12-(3-cyclopropyl-2-oxopropanoyl)-17,17-dimethyl-3-[3-[1-[(5S)-2-methyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]-2-oxopropyl]-1-azatricyclo[13.4.0.016,18]nonadecane-2,14-dione;2-[(3R,12R,15S,16R,18S)-17,17-dimethyl-3-[3-[1-[(5S)-2-methyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]-2-oxopropyl]-2,14-dioxo-1-azatricyclo[13.4.0.016,18]nonadecan-12-yl]-2-oxo-N-propylacetamide (CID 158219829) is 1-[1-[3-[(3R,14R,17S,18R,20S)-14-(3-cyclopropyl-2-oxopropanoyl)-19,19-dimethyl-2,16-dioxo-1-azatricyclo[15.4.0.018,20]henicosan-3-yl]-2-oxopropyl]cyclohexyl]-N,N-dimethylmethanesulfonamide;1-[1-[3-[(3R,12R,15S,16R,18S)-12-(3-cyclopropyl-2-oxopropanoyl)-17,17-dimethyl-2,14-dioxo-1-azatricyclo[13.4.0.016,18]nonadecan-3-yl]-2-oxopropyl]cyclohexyl]-N,N-dimethylmethanesulfonamide;(3R,14R,17S,18R,20S)-14-(3-cyclopropyl-2-oxopropanoyl)-19,19-dimethyl-3-[3-[1-[(5S)-2-methyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]-2-oxopropyl]-1-azatricyclo[15.4.0.018,20]henicosane-2,16-dione;(3R,12R,15S,16R,18S)-12-(3-cyclopropyl-2-oxopropanoyl)-17,17-dimethyl-3-[3-[1-[(5S)-2-methyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]-2-oxopropyl]-1-azatricyclo[13.4.0.016,18]nonadecane-2,14-dione;2-[(3R,12R,15S,16R,18S)-17,17-dimethyl-3-[3-[1-[(5S)-2-methyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]-2-oxopropyl]-2,14-dioxo-1-azatricyclo[13.4.0.016,18]nonadecan-12-yl]-2-oxo-N-propylacetamide.
What is the SMILES notation for 1-[1-[3-[(3R,14R,17S,18R,20S)-14-(3-cyclopropyl-2-oxopropanoyl)-19,19-dimethyl-2,16-dioxo-1-azatricyclo[15.4.0.018,20]henicosan-3-yl]-2-oxopropyl]cyclohexyl]-N,N-dimethylmethanesulfonamide;1-[1-[3-[(3R,12R,15S,16R,18S)-12-(3-cyclopropyl-2-oxopropanoyl)-17,17-dimethyl-2,14-dioxo-1-azatricyclo[13.4.0.016,18]nonadecan-3-yl]-2-oxopropyl]cyclohexyl]-N,N-dimethylmethanesulfonamide;(3R,14R,17S,18R,20S)-14-(3-cyclopropyl-2-oxopropanoyl)-19,19-dimethyl-3-[3-[1-[(5S)-2-methyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]-2-oxopropyl]-1-azatricyclo[15.4.0.018,20]henicosane-2,16-dione;(3R,12R,15S,16R,18S)-12-(3-cyclopropyl-2-oxopropanoyl)-17,17-dimethyl-3-[3-[1-[(5S)-2-methyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]-2-oxopropyl]-1-azatricyclo[13.4.0.016,18]nonadecane-2,14-dione;2-[(3R,12R,15S,16R,18S)-17,17-dimethyl-3-[3-[1-[(5S)-2-methyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]-2-oxopropyl]-2,14-dioxo-1-azatricyclo[13.4.0.016,18]nonadecan-12-yl]-2-oxo-N-propylacetamide?
The canonical SMILES for 1-[1-[3-[(3R,14R,17S,18R,20S)-14-(3-cyclopropyl-2-oxopropanoyl)-19,19-dimethyl-2,16-dioxo-1-azatricyclo[15.4.0.018,20]henicosan-3-yl]-2-oxopropyl]cyclohexyl]-N,N-dimethylmethanesulfonamide;1-[1-[3-[(3R,12R,15S,16R,18S)-12-(3-cyclopropyl-2-oxopropanoyl)-17,17-dimethyl-2,14-dioxo-1-azatricyclo[13.4.0.016,18]nonadecan-3-yl]-2-oxopropyl]cyclohexyl]-N,N-dimethylmethanesulfonamide;(3R,14R,17S,18R,20S)-14-(3-cyclopropyl-2-oxopropanoyl)-19,19-dimethyl-3-[3-[1-[(5S)-2-methyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]-2-oxopropyl]-1-azatricyclo[15.4.0.018,20]henicosane-2,16-dione;(3R,12R,15S,16R,18S)-12-(3-cyclopropyl-2-oxopropanoyl)-17,17-dimethyl-3-[3-[1-[(5S)-2-methyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]-2-oxopropyl]-1-azatricyclo[13.4.0.016,18]nonadecane-2,14-dione;2-[(3R,12R,15S,16R,18S)-17,17-dimethyl-3-[3-[1-[(5S)-2-methyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]-2-oxopropyl]-2,14-dioxo-1-azatricyclo[13.4.0.016,18]nonadecan-12-yl]-2-oxo-N-propylacetamide is CCCNC(=O)C(=O)[C@@H]1CCCCCCCC[C@H](CC(=O)CC2([C@@H]3CCN(C)S3(=O)=O)CCCCC2)C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)C1)C3(C)C.CN(C)S(=O)(=O)CC1(CC(=O)C[C@H]2CCCCCCCCCC[C@@H](C(=O)C(=O)CC3CC3)CC(=O)[C@@H]3[C@@H]4[C@H](CN3C2=O)C4(C)C)CCCCC1.CN(C)S(=O)(=O)CC1(CC(=O)C[C@H]2CCCCCCCC[C@@H](C(=O)C(=O)CC3CC3)CC(=O)[C@@H]3[C@@H]4[C@H](CN3C2=O)C4(C)C)CCCCC1.CN1CC[C@@H](C2(CC(=O)C[C@H]3CCCCCCCCCC[C@@H](C(=O)C(=O)CC4CC4)CC(=O)[C@@H]4[C@@H]5[C@H](CN4C3=O)C5(C)C)CCCCC2)S1(=O)=O.CN1CC[C@@H](C2(CC(=O)C[C@H]3CCCCCCCC[C@@H](C(=O)C(=O)CC4CC4)CC(=O)[C@@H]4[C@@H]5[C@H](CN4C3=O)C5(C)C)CCCCC2)S1(=O)=O.
What is the InChIKey of 1-[1-[3-[(3R,14R,17S,18R,20S)-14-(3-cyclopropyl-2-oxopropanoyl)-19,19-dimethyl-2,16-dioxo-1-azatricyclo[15.4.0.018,20]henicosan-3-yl]-2-oxopropyl]cyclohexyl]-N,N-dimethylmethanesulfonamide;1-[1-[3-[(3R,12R,15S,16R,18S)-12-(3-cyclopropyl-2-oxopropanoyl)-17,17-dimethyl-2,14-dioxo-1-azatricyclo[13.4.0.016,18]nonadecan-3-yl]-2-oxopropyl]cyclohexyl]-N,N-dimethylmethanesulfonamide;(3R,14R,17S,18R,20S)-14-(3-cyclopropyl-2-oxopropanoyl)-19,19-dimethyl-3-[3-[1-[(5S)-2-methyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]-2-oxopropyl]-1-azatricyclo[15.4.0.018,20]henicosane-2,16-dione;(3R,12R,15S,16R,18S)-12-(3-cyclopropyl-2-oxopropanoyl)-17,17-dimethyl-3-[3-[1-[(5S)-2-methyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]-2-oxopropyl]-1-azatricyclo[13.4.0.016,18]nonadecane-2,14-dione;2-[(3R,12R,15S,16R,18S)-17,17-dimethyl-3-[3-[1-[(5S)-2-methyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]-2-oxopropyl]-2,14-dioxo-1-azatricyclo[13.4.0.016,18]nonadecan-12-yl]-2-oxo-N-propylacetamide?
The InChIKey is GDCNVQXJWQCUNS-MBAXDNLMSA-N. The full InChI is InChI=1S/C41H64N2O7S.C40H64N2O7S.C39H60N2O7S.C38H61N3O7S.C38H60N2O7S/c1-40(2)32-27-43-37(36(32)40)33(45)25-29(38(47)34(46)23-28-17-18-28)15-11-8-6-4-5-7-9-12-16-30(39(43)48)24-31(44)26-41(20-13-10-14-21-41)35-19-22-42(3)51(35,49)50;1-39(2)32-26-42-36(35(32)39)33(44)24-29(37(46)34(45)22-28-18-19-28)16-12-9-7-5-6-8-10-13-17-30(38(42)47)23-31(43)25-40(20-14-11-15-21-40)27-50(48,49)41(3)4;1-38(2)30-25-41-35(34(30)38)31(43)23-27(36(45)32(44)21-26-15-16-26)13-9-6-4-5-7-10-14-28(37(41)46)22-29(42)24-39(18-11-8-12-19-39)33-17-20-40(3)49(33,47)48;1-5-20-39-35(45)34(44)26-15-11-8-6-7-9-12-16-27(36(46)41-25-29-32(37(29,2)3)33(41)30(43)23-26)22-28(42)24-38(18-13-10-14-19-38)31-17-21-40(4)49(31,47)48;1-37(2)30-24-40-34(33(30)37)31(42)22-27(35(44)32(43)20-26-16-17-26)14-10-7-5-6-8-11-15-28(36(40)45)21-29(41)23-38(18-12-9-13-19-38)25-48(46,47)39(3)4/h28-30,32,35-37H,4-27H2,1-3H3;28-30,32,35-36H,5-27H2,1-4H3;26-28,30,33-35H,4-25H2,1-3H3;26-27,29,31-33H,5-25H2,1-4H3,(H,39,45);26-28,30,33-34H,5-25H2,1-4H3/t29-,30-,32+,35+,36+,37-;29-,30-,32+,35+,36-;27-,28-,30+,33+,34+,35-;26-,27-,29+,31+,32+,33-;27-,28-,30+,33+,34-/m11111/s1.
What are the key properties of 1-[1-[3-[(3R,14R,17S,18R,20S)-14-(3-cyclopropyl-2-oxopropanoyl)-19,19-dimethyl-2,16-dioxo-1-azatricyclo[15.4.0.018,20]henicosan-3-yl]-2-oxopropyl]cyclohexyl]-N,N-dimethylmethanesulfonamide;1-[1-[3-[(3R,12R,15S,16R,18S)-12-(3-cyclopropyl-2-oxopropanoyl)-17,17-dimethyl-2,14-dioxo-1-azatricyclo[13.4.0.016,18]nonadecan-3-yl]-2-oxopropyl]cyclohexyl]-N,N-dimethylmethanesulfonamide;(3R,14R,17S,18R,20S)-14-(3-cyclopropyl-2-oxopropanoyl)-19,19-dimethyl-3-[3-[1-[(5S)-2-methyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]-2-oxopropyl]-1-azatricyclo[15.4.0.018,20]henicosane-2,16-dione;(3R,12R,15S,16R,18S)-12-(3-cyclopropyl-2-oxopropanoyl)-17,17-dimethyl-3-[3-[1-[(5S)-2-methyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]-2-oxopropyl]-1-azatricyclo[13.4.0.016,18]nonadecane-2,14-dione;2-[(3R,12R,15S,16R,18S)-17,17-dimethyl-3-[3-[1-[(5S)-2-methyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]-2-oxopropyl]-2,14-dioxo-1-azatricyclo[13.4.0.016,18]nonadecan-12-yl]-2-oxo-N-propylacetamide?
1-[1-[3-[(3R,14R,17S,18R,20S)-14-(3-cyclopropyl-2-oxopropanoyl)-19,19-dimethyl-2,16-dioxo-1-azatricyclo[15.4.0.018,20]henicosan-3-yl]-2-oxopropyl]cyclohexyl]-N,N-dimethylmethanesulfonamide;1-[1-[3-[(3R,12R,15S,16R,18S)-12-(3-cyclopropyl-2-oxopropanoyl)-17,17-dimethyl-2,14-dioxo-1-azatricyclo[13.4.0.016,18]nonadecan-3-yl]-2-oxopropyl]cyclohexyl]-N,N-dimethylmethanesulfonamide;(3R,14R,17S,18R,20S)-14-(3-cyclopropyl-2-oxopropanoyl)-19,19-dimethyl-3-[3-[1-[(5S)-2-methyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]-2-oxopropyl]-1-azatricyclo[15.4.0.018,20]henicosane-2,16-dione;(3R,12R,15S,16R,18S)-12-(3-cyclopropyl-2-oxopropanoyl)-17,17-dimethyl-3-[3-[1-[(5S)-2-methyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]-2-oxopropyl]-1-azatricyclo[13.4.0.016,18]nonadecane-2,14-dione;2-[(3R,12R,15S,16R,18S)-17,17-dimethyl-3-[3-[1-[(5S)-2-methyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]-2-oxopropyl]-2,14-dioxo-1-azatricyclo[13.4.0.016,18]nonadecan-12-yl]-2-oxo-N-propylacetamide has a molecular weight of 3540.01 g/mol, XLogP of 30.77, 49 rotatable bonds, 1 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-[(3R,14R,17S,18R,20S)-14-(3-cyclopropyl-2-oxopropanoyl)-19,19-dimethyl-2,16-dioxo-1-azatricyclo[15.4.0.018,20]henicosan-3-yl]-2-oxopropyl]cyclohexyl]-N,N-dimethylmethanesulfonamide;1-[1-[3-[(3R,12R,15S,16R,18S)-12-(3-cyclopropyl-2-oxopropanoyl)-17,17-dimethyl-2,14-dioxo-1-azatricyclo[13.4.0.016,18]nonadecan-3-yl]-2-oxopropyl]cyclohexyl]-N,N-dimethylmethanesulfonamide;(3R,14R,17S,18R,20S)-14-(3-cyclopropyl-2-oxopropanoyl)-19,19-dimethyl-3-[3-[1-[(5S)-2-methyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]-2-oxopropyl]-1-azatricyclo[15.4.0.018,20]henicosane-2,16-dione;(3R,12R,15S,16R,18S)-12-(3-cyclopropyl-2-oxopropanoyl)-17,17-dimethyl-3-[3-[1-[(5S)-2-methyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]-2-oxopropyl]-1-azatricyclo[13.4.0.016,18]nonadecane-2,14-dione;2-[(3R,12R,15S,16R,18S)-17,17-dimethyl-3-[3-[1-[(5S)-2-methyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]-2-oxopropyl]-2,14-dioxo-1-azatricyclo[13.4.0.016,18]nonadecan-12-yl]-2-oxo-N-propylacetamide is sourced from PubChem (CID 158219829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).