tert-butyl N-[(3S,13S,16S,17R,19S)-13-[2-(cyclopropylamino)-2-oxoacetyl]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-3-yl]carbamate;tert-butyl N-[(3S,13S,16S,17R,19S)-13-[2-(ethylamino)-2-oxoacetyl]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-3-yl]carbamate;2-[(3S,13S,16S,17R,19S)-3-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-N-ethyl-2-oxoacetamide;N-cyclopropyl-2-[(3S,13S,16S,17R,19S)-3-[[(2S)-3,3-dimethyl-1-[methyl(thiophen-2-ylsulfonyl)amino]butan-2-yl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxoacetamide;N-(cyclopropylmethyl)-2-[(3S,13S,16S,17R,19S)-3-[[(2S)-3,3-dimethyl-1-[methyl(thiophen-2-ylsulfonyl)amino]butan-2-yl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxoacetamide;2-[(3S,13S,16S,17R,19S)-3-[[(2S)-3,3-dimethyl-1-[methyl(thiophen-2-ylsulfonyl)amino]butan-2-yl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-N-ethyl-2-oxoacetamide

C206H333N31O40S7 — CID 158203432

IUPACtert-butyl N-[(3S,13S,16S,17R,19S)-13-[2-(cyclopropylamino)-2-oxoacetyl]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-3-yl]carbamate;tert-butyl N-[(3S,13S,16S,17R,19S)-13-[2-(ethylamino)-2-oxoacetyl]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-3-yl]carbamate;2-[(3S,13S,16S,17R,19S)-3-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-N-ethyl-2-oxoacetamide;N-cyclopropyl-2-[(3S,13S,16S,17R,19S)-3-[[(2S)-3,3-dimethyl-1-[methyl(thiophen-2-ylsulfonyl)amino]butan-2-yl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxoacetamide;N-(cyclopropylmethyl)-2-[(3S,13S,16S,17R,19S)-3-[[(2S)-3,3-dimethyl-1-[methyl(thiophen-2-ylsulfonyl)amino]butan-2-yl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxoacetamide;2-[(3S,13S,16S,17R,19S)-3-[[(2S)-3,3-dimethyl-1-[methyl(thiophen-2-ylsulfonyl)amino]butan-2-yl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-N-ethyl-2-oxoacetamide
SMILESCC(C)(C)OC(=O)N[C@H]1CCCCCCCCC[C@@H](C(=O)C(=O)NC2CC2)NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C.CCNC(=O)C(=O)[C@@H]1CCCCCCCCC[C@H](NC(=O)NC2(CS(=O)(=O)C(C)(C)C)CCCCC2)C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N1)C3(C)C.CCNC(=O)C(=O)[C@@H]1CCCCCCCCC[C@H](NC(=O)N[C@H](CN(C)S(=O)(=O)c2cccs2)C(C)(C)C)C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N1)C3(C)C.CCNC(=O)C(=O)[C@@H]1CCCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N1)C3(C)C.CN(C[C@@H](NC(=O)N[C@H]1CCCCCCCCC[C@@H](C(=O)C(=O)NC2CC2)NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C)C(C)(C)C)S(=O)(=O)c1cccs1.CN(C[C@@H](NC(=O)N[C@H]1CCCCCCCCC[C@@H](C(=O)C(=O)NCC2CC2)NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C)C(C)(C)C)S(=O)(=O)c1cccs1
InChIInChI=1S/C38H60N6O7S2.C37H58N6O7S2.C36H58N6O7S2.C36H61N5O7S.C30H48N4O6.C29H48N4O6/c1-37(2,3)28(23-43(6)53(50,51)29-17-14-20-52-29)42-36(49)41-27-16-13-11-9-7-8-10-12-15-26(32(45)34(47)39-21-24-18-19-24)40-33(46)31-30-25(38(30,4)5)22-44(31)35(27)48;1-36(2,3)27(22-42(6)52(49,50)28-17-14-20-51-28)41-35(48)40-26-16-13-11-9-7-8-10-12-15-25(31(44)33(46)38-23-18-19-23)39-32(45)30-29-24(37(29,4)5)21-43(30)34(26)47;1-8-37-32(45)30(43)24-17-14-12-10-9-11-13-15-18-25(33(46)42-21-23-28(36(23,5)6)29(42)31(44)38-24)39-34(47)40-26(35(2,3)4)22-41(7)51(48,49)27-19-16-20-50-27;1-7-37-31(44)29(42)25-18-14-11-9-8-10-12-15-19-26(32(45)41-22-24-27(35(24,5)6)28(41)30(43)38-25)39-33(46)40-36(20-16-13-17-21-36)23-49(47,48)34(2,3)4;1-29(2,3)40-28(39)33-21-14-12-10-8-6-7-9-11-13-20(24(35)26(37)31-18-15-16-18)32-25(36)23-22-19(30(22,4)5)17-34(23)27(21)38;1-7-30-25(36)23(34)19-15-13-11-9-8-10-12-14-16-20(32-27(38)39-28(2,3)4)26(37)33-17-18-21(29(18,5)6)22(33)24(35)31-19/h14,17,20,24-28,30-31H,7-13,15-16,18-19,21-23H2,1-6H3,(H,39,47)(H,40,46)(H2,41,42,49);14,17,20,23-27,29-30H,7-13,15-16,18-19,21-22H2,1-6H3,(H,38,46)(H,39,45)(H2,40,41,48);16,19-20,23-26,28-29H,8-15,17-18,21-22H2,1-7H3,(H,37,45)(H,38,44)(H2,39,40,47);24-28H,7-23H2,1-6H3,(H,37,44)(H,38,43)(H2,39,40,46);18-23H,6-17H2,1-5H3,(H,31,37)(H,32,36)(H,33,39);18-22H,7-17H2,1-6H3,(H,30,36)(H,31,35)(H,32,38)/t25-,26-,27-,28+,30-,31-;24-,25-,26-,27+,29-,30-;23-,24-,25-,26+,28-,29-;24-,25-,26-,27-,28-;19-,20-,21-,22-,23-;18-,19-,20-,21-,22-/m000000/s1
InChIKeyGBFDBGOCHAPLDJ-YKXBERNQSA-N
MW4108.58 g/mol
LogP21.54
Rot. Bonds43

About tert-butyl N-[(3S,13S,16S,17R,19S)-13-[2-(cyclopropylamino)-2-oxoacetyl]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-3-yl]carbamate;tert-butyl N-[(3S,13S,16S,17R,19S)-13-[2-(ethylamino)-2-oxoacetyl]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-3-yl]carbamate;2-[(3S,13S,16S,17R,19S)-3-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-N-ethyl-2-oxoacetamide;N-cyclopropyl-2-[(3S,13S,16S,17R,19S)-3-[[(2S)-3,3-dimethyl-1-[methyl(thiophen-2-ylsulfonyl)amino]butan-2-yl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxoacetamide;N-(cyclopropylmethyl)-2-[(3S,13S,16S,17R,19S)-3-[[(2S)-3,3-dimethyl-1-[methyl(thiophen-2-ylsulfonyl)amino]butan-2-yl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxoacetamide;2-[(3S,13S,16S,17R,19S)-3-[[(2S)-3,3-dimethyl-1-[methyl(thiophen-2-ylsulfonyl)amino]butan-2-yl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-N-ethyl-2-oxoacetamide

tert-butyl N-[(3S,13S,16S,17R,19S)-13-[2-(cyclopropylamino)-2-oxoacetyl]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-3-yl]carbamate;tert-butyl N-[(3S,13S,16S,17R,19S)-13-[2-(ethylamino)-2-oxoacetyl]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-3-yl]carbamate;2-[(3S,13S,16S,17R,19S)-3-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-N-ethyl-2-oxoacetamide;N-cyclopropyl-2-[(3S,13S,16S,17R,19S)-3-[[(2S)-3,3-dimethyl-1-[methyl(thiophen-2-ylsulfonyl)amino]butan-2-yl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxoacetamide;N-(cyclopropylmethyl)-2-[(3S,13S,16S,17R,19S)-3-[[(2S)-3,3-dimethyl-1-[methyl(thiophen-2-ylsulfonyl)amino]butan-2-yl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxoacetamide;2-[(3S,13S,16S,17R,19S)-3-[[(2S)-3,3-dimethyl-1-[methyl(thiophen-2-ylsulfonyl)amino]butan-2-yl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-N-ethyl-2-oxoacetamide (PubChem CID 158203432) has the molecular formula C206H333N31O40S7 and a molecular weight of 4108.58 g/mol. Its IUPAC name is tert-butyl N-[(3S,13S,16S,17R,19S)-13-[2-(cyclopropylamino)-2-oxoacetyl]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-3-yl]carbamate;tert-butyl N-[(3S,13S,16S,17R,19S)-13-[2-(ethylamino)-2-oxoacetyl]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-3-yl]carbamate;2-[(3S,13S,16S,17R,19S)-3-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-N-ethyl-2-oxoacetamide;N-cyclopropyl-2-[(3S,13S,16S,17R,19S)-3-[[(2S)-3,3-dimethyl-1-[methyl(thiophen-2-ylsulfonyl)amino]butan-2-yl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxoacetamide;N-(cyclopropylmethyl)-2-[(3S,13S,16S,17R,19S)-3-[[(2S)-3,3-dimethyl-1-[methyl(thiophen-2-ylsulfonyl)amino]butan-2-yl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxoacetamide;2-[(3S,13S,16S,17R,19S)-3-[[(2S)-3,3-dimethyl-1-[methyl(thiophen-2-ylsulfonyl)amino]butan-2-yl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-N-ethyl-2-oxoacetamide.

Molecular Properties

Compound Nametert-butyl N-[(3S,13S,16S,17R,19S)-13-[2-(cyclopropylamino)-2-oxoacetyl]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-3-yl]carbamate;tert-butyl N-[(3S,13S,16S,17R,19S)-13-[2-(ethylamino)-2-oxoacetyl]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-3-yl]carbamate;2-[(3S,13S,16S,17R,19S)-3-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-N-ethyl-2-oxoacetamide;N-cyclopropyl-2-[(3S,13S,16S,17R,19S)-3-[[(2S)-3,3-dimethyl-1-[methyl(thiophen-2-ylsulfonyl)amino]butan-2-yl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxoacetamide;N-(cyclopropylmethyl)-2-[(3S,13S,16S,17R,19S)-3-[[(2S)-3,3-dimethyl-1-[methyl(thiophen-2-ylsulfonyl)amino]butan-2-yl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxoacetamide;2-[(3S,13S,16S,17R,19S)-3-[[(2S)-3,3-dimethyl-1-[methyl(thiophen-2-ylsulfonyl)amino]butan-2-yl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-N-ethyl-2-oxoacetamide
PubChem CID158203432
Molecular FormulaC206H333N31O40S7
Molecular Weight4108.58 g/mol
Exact Mass4105.30
IUPAC Nametert-butyl N-[(3S,13S,16S,17R,19S)-13-[2-(cyclopropylamino)-2-oxoacetyl]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-3-yl]carbamate;tert-butyl N-[(3S,13S,16S,17R,19S)-13-[2-(ethylamino)-2-oxoacetyl]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-3-yl]carbamate;2-[(3S,13S,16S,17R,19S)-3-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-N-ethyl-2-oxoacetamide;N-cyclopropyl-2-[(3S,13S,16S,17R,19S)-3-[[(2S)-3,3-dimethyl-1-[methyl(thiophen-2-ylsulfonyl)amino]butan-2-yl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxoacetamide;N-(cyclopropylmethyl)-2-[(3S,13S,16S,17R,19S)-3-[[(2S)-3,3-dimethyl-1-[methyl(thiophen-2-ylsulfonyl)amino]butan-2-yl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxoacetamide;2-[(3S,13S,16S,17R,19S)-3-[[(2S)-3,3-dimethyl-1-[methyl(thiophen-2-ylsulfonyl)amino]butan-2-yl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-N-ethyl-2-oxoacetamide
SMILESCC(C)(C)OC(=O)N[C@H]1CCCCCCCCC[C@@H](C(=O)C(=O)NC2CC2)NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C.CCNC(=O)C(=O)[C@@H]1CCCCCCCCC[C@H](NC(=O)NC2(CS(=O)(=O)C(C)(C)C)CCCCC2)C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N1)C3(C)C.CCNC(=O)C(=O)[C@@H]1CCCCCCCCC[C@H](NC(=O)N[C@H](CN(C)S(=O)(=O)c2cccs2)C(C)(C)C)C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N1)C3(C)C.CCNC(=O)C(=O)[C@@H]1CCCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N1)C3(C)C.CN(C[C@@H](NC(=O)N[C@H]1CCCCCCCCC[C@@H](C(=O)C(=O)NC2CC2)NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C)C(C)(C)C)S(=O)(=O)c1cccs1.CN(C[C@@H](NC(=O)N[C@H]1CCCCCCCCC[C@@H](C(=O)C(=O)NCC2CC2)NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C)C(C)(C)C)S(=O)(=O)c1cccs1
InChIInChI=1S/C38H60N6O7S2.C37H58N6O7S2.C36H58N6O7S2.C36H61N5O7S.C30H48N4O6.C29H48N4O6/c1-37(2,3)28(23-43(6)53(50,51)29-17-14-20-52-29)42-36(49)41-27-16-13-11-9-7-8-10-12-15-26(32(45)34(47)39-21-24-18-19-24)40-33(46)31-30-25(38(30,4)5)22-44(31)35(27)48;1-36(2,3)27(22-42(6)52(49,50)28-17-14-20-51-28)41-35(48)40-26-16-13-11-9-7-8-10-12-15-25(31(44)33(46)38-23-18-19-23)39-32(45)30-29-24(37(29,4)5)21-43(30)34(26)47;1-8-37-32(45)30(43)24-17-14-12-10-9-11-13-15-18-25(33(46)42-21-23-28(36(23,5)6)29(42)31(44)38-24)39-34(47)40-26(35(2,3)4)22-41(7)51(48,49)27-19-16-20-50-27;1-7-37-31(44)29(42)25-18-14-11-9-8-10-12-15-19-26(32(45)41-22-24-27(35(24,5)6)28(41)30(43)38-25)39-33(46)40-36(20-16-13-17-21-36)23-49(47,48)34(2,3)4;1-29(2,3)40-28(39)33-21-14-12-10-8-6-7-9-11-13-20(24(35)26(37)31-18-15-16-18)32-25(36)23-22-19(30(22,4)5)17-34(23)27(21)38;1-7-30-25(36)23(34)19-15-13-11-9-8-10-12-14-16-20(32-27(38)39-28(2,3)4)26(37)33-17-18-21(29(18,5)6)22(33)24(35)31-19/h14,17,20,24-28,30-31H,7-13,15-16,18-19,21-23H2,1-6H3,(H,39,47)(H,40,46)(H2,41,42,49);14,17,20,23-27,29-30H,7-13,15-16,18-19,21-22H2,1-6H3,(H,38,46)(H,39,45)(H2,40,41,48);16,19-20,23-26,28-29H,8-15,17-18,21-22H2,1-7H3,(H,37,45)(H,38,44)(H2,39,40,47);24-28H,7-23H2,1-6H3,(H,37,44)(H,38,43)(H2,39,40,46);18-23H,6-17H2,1-5H3,(H,31,37)(H,32,36)(H,33,39);18-22H,7-17H2,1-6H3,(H,30,36)(H,31,35)(H,32,38)/t25-,26-,27-,28+,30-,31-;24-,25-,26-,27+,29-,30-;23-,24-,25-,26+,28-,29-;24-,25-,26-,27-,28-;19-,20-,21-,22-,23-;18-,19-,20-,21-,22-/m000000/s1
InChIKeyGBFDBGOCHAPLDJ-YKXBERNQSA-N
XLogP21.54
TPSA960.94 Ų
H-Bond Donors22
H-Bond Acceptors43
Rotatable Bonds43
Heavy Atoms284
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004108.58
LogP ≤ 521.54
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1043

Analyze tert-butyl N-[(3S,13S,16S,17R,19S)-13-[2-(cyclopropylamino)-2-oxoacetyl]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-3-yl]carbamate;tert-butyl N-[(3S,13S,16S,17R,19S)-13-[2-(ethylamino)-2-oxoacetyl]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-3-yl]carbamate;2-[(3S,13S,16S,17R,19S)-3-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-N-ethyl-2-oxoacetamide;N-cyclopropyl-2-[(3S,13S,16S,17R,19S)-3-[[(2S)-3,3-dimethyl-1-[methyl(thiophen-2-ylsulfonyl)amino]butan-2-yl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxoacetamide;N-(cyclopropylmethyl)-2-[(3S,13S,16S,17R,19S)-3-[[(2S)-3,3-dimethyl-1-[methyl(thiophen-2-ylsulfonyl)amino]butan-2-yl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxoacetamide;2-[(3S,13S,16S,17R,19S)-3-[[(2S)-3,3-dimethyl-1-[methyl(thiophen-2-ylsulfonyl)amino]butan-2-yl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-N-ethyl-2-oxoacetamide with MolForge

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Related Compounds

tert-butyl N-[(3S,13S,16S,17R,19S)-18,18-dimethyl-2,15-dioxo-13-[2-oxo-2-(propylamino)acetyl]-1,14-diazatricyclo[14.4.0.017,19]icosan-3-yl]carbamate;2-[(3S,13S,16S,17R,19S)-3-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-N-(cyclopropylmethyl)-2-oxoacetamide;2-[(3S,13S,16S,17R,19S)-3-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-N-cyclopropyl-2-oxoacetamide;2-[(3S,13S,16S,17R,19S)-3-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-N-ethyl-2-oxoacetamide;2-[(3S,13S,16S,17R,19S)-3-[[(2S)-3,3-dimethyl-1-[methyl(thiophen-2-ylsulfonyl)amino]butan-2-yl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-N-ethyl-2-oxoacetamide
CID 161124089
2-[(3S,12S,15S,18S)-3-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-17,17-dimethyl-2,14-dioxo-1,13-diazatricyclo[13.4.0.016,18]nonadecan-12-yl]-2-oxo-N-propylacetamide
CID 147127211
2-[(3S,4S,13S,16S,17R,19S)-3-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-4,18,18-trimethyl-2,15-dioxo-5-oxa-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxo-N-prop-2-enylacetamide;N-cyclopropyl-2-[(3S,4S,13S,16S,17R,19S)-3-[[(2S)-1-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-3,3-dimethylbutan-2-yl]carbamoylamino]-4,18,18-trimethyl-2,15-dioxo-5-oxa-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxoacetamide;N-cyclopropyl-2-[(3S,4S,13S,16S,17R,19S)-3-[[(2S)-1-[ethylsulfonyl(methyl)amino]-3,3-dimethylbutan-2-yl]carbamoylamino]-4,18,18-trimethyl-2,15-dioxo-5-oxa-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxoacetamide;2-[(3S,13S,16S,17R,19S)-3-[[(2S)-1-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-3,3-dimethylbutan-2-yl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,5,14-triazatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxo-N-prop-2-enylacetamide;2-[(3S,14S,17S,18R,20S)-3-[[(2S)-1-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-3,3-dimethylbutan-2-yl]carbamoylamino]-19,19-dimethyl-2,8,16-trioxo-7-oxa-1,9,15-triazatricyclo[15.4.0.018,20]henicosan-14-yl]-2-oxo-N-prop-2-enylacetamide
CID 161071560
2-[(3R,13R,16S,17R,19S)-3-[[(2S)-3,3-dimethyl-1-[methyl(methylsulfonyl)amino]butan-2-yl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxoacetamide
CID 11456519
tert-butyl N-[(3S,13S,16S,17R,19S)-18,18-dimethyl-2,15-dioxo-13-[2-oxo-2-(prop-2-enylamino)acetyl]-1,14-diazatricyclo[14.4.0.017,19]icosan-3-yl]carbamate;2-[(3S,13S,16S,17R,19S)-3-[[(1S)-1-cyclohexyl-2-cyclopropyl-2-oxoethyl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxoacetamide;2-[(3S,13S,16S,17R,19S)-3-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxoacetamide;2-[(3S,13S,16S,17R,19S)-3-[[(2S)-3,3-dimethyl-1-[methyl(methylsulfonyl)amino]butan-2-yl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxoacetamide;2-[(3S,13S,16S,17R,19S)-3-[[(2S)-3,3-dimethyl-1-[methyl(methylsulfonyl)amino]butan-2-yl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxo-N-prop-2-enylacetamide
CID 162207368
tert-butyl N-[(14S,17S,18R,20S)-14-[2-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-2-oxoacetyl]-19,19-dimethyl-2,16-dioxo-1,15-diazatricyclo[15.4.0.018,20]henicosan-3-yl]carbamate
CID 86572579
tert-butyl N-[(3S,13S,16S,17R,19S)-18,18-dimethyl-2,15-dioxo-13-[2-oxo-2-(prop-2-enylamino)acetyl]-1,14-diazatricyclo[14.4.0.017,19]icosan-3-yl]carbamate
CID 16755999
2-[(3S,4S,13R,16S,17R,19S)-3-[[(2S)-1-[ethylsulfonyl(methyl)amino]-3,3-dimethylbutan-2-yl]carbamoylamino]-4,18,18-trimethyl-2,15-dioxo-5-oxa-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxo-N-prop-2-enylacetamide
CID 11308604
2-[(3R,14R,17S,18R,20S)-3-[[(2S)-1-(4,4-dimethyl-2-oxopiperidin-1-yl)-3,3-dimethylbutan-2-yl]carbamoylamino]-19,19-dimethyl-2,16-dioxo-1,15-diazatricyclo[15.4.0.018,20]henicosan-14-yl]-2-oxo-N-propylacetamide
CID 42600355
2-[(3S,12S,15S,16R,18S)-3-[[(2S)-1-(1,1-dioxo-3H-thieno[2,3-d][1,2]thiazol-2-yl)-3,3-dimethylbutan-2-yl]carbamoylamino]-17,17-dimethyl-2,14-dioxo-1,13-diazatricyclo[13.4.0.016,18]nonadecan-12-yl]-2-oxo-N-prop-2-enylacetamide
CID 70335893
N-(cyclopropylmethyl)-2-[(3S,13S,16S,17S)-3-[(1-ethylcyclohexyl)carbamoylamino]-17-methyl-2,15-dioxo-1,14-diazabicyclo[14.3.0]nonadecan-13-yl]-2-oxoacetamide
CID 143025066
tert-butyl N-[(1S)-2-[(3S,3aS,6aR)-3-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-cyclohexyl-2-oxoethyl]carbamate;(1R,2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxoheptan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;2-[(3S,13S,16S,17R,19S)-3-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxo-N-prop-2-enylacetamide;(1R,2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxoheptan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-N-[(3S)-5-cyclopropyl-1-(cyclopropylamino)-1,2-dioxopentan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,2S,5S)-N-[(3S)-1-(cyclopropylamino)-1,2-dioxoheptan-3-yl]-3-[(2S)-2-[[1-[(2R)-1,1-dioxothiolan-2-yl]cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 162251524

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S,13S,16S,17R,19S)-13-[2-(cyclopropylamino)-2-oxoacetyl]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-3-yl]carbamate;tert-butyl N-[(3S,13S,16S,17R,19S)-13-[2-(ethylamino)-2-oxoacetyl]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-3-yl]carbamate;2-[(3S,13S,16S,17R,19S)-3-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-N-ethyl-2-oxoacetamide;N-cyclopropyl-2-[(3S,13S,16S,17R,19S)-3-[[(2S)-3,3-dimethyl-1-[methyl(thiophen-2-ylsulfonyl)amino]butan-2-yl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxoacetamide;N-(cyclopropylmethyl)-2-[(3S,13S,16S,17R,19S)-3-[[(2S)-3,3-dimethyl-1-[methyl(thiophen-2-ylsulfonyl)amino]butan-2-yl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxoacetamide;2-[(3S,13S,16S,17R,19S)-3-[[(2S)-3,3-dimethyl-1-[methyl(thiophen-2-ylsulfonyl)amino]butan-2-yl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-N-ethyl-2-oxoacetamide?
The IUPAC name of tert-butyl N-[(3S,13S,16S,17R,19S)-13-[2-(cyclopropylamino)-2-oxoacetyl]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-3-yl]carbamate;tert-butyl N-[(3S,13S,16S,17R,19S)-13-[2-(ethylamino)-2-oxoacetyl]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-3-yl]carbamate;2-[(3S,13S,16S,17R,19S)-3-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-N-ethyl-2-oxoacetamide;N-cyclopropyl-2-[(3S,13S,16S,17R,19S)-3-[[(2S)-3,3-dimethyl-1-[methyl(thiophen-2-ylsulfonyl)amino]butan-2-yl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxoacetamide;N-(cyclopropylmethyl)-2-[(3S,13S,16S,17R,19S)-3-[[(2S)-3,3-dimethyl-1-[methyl(thiophen-2-ylsulfonyl)amino]butan-2-yl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxoacetamide;2-[(3S,13S,16S,17R,19S)-3-[[(2S)-3,3-dimethyl-1-[methyl(thiophen-2-ylsulfonyl)amino]butan-2-yl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-N-ethyl-2-oxoacetamide (CID 158203432) is tert-butyl N-[(3S,13S,16S,17R,19S)-13-[2-(cyclopropylamino)-2-oxoacetyl]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-3-yl]carbamate;tert-butyl N-[(3S,13S,16S,17R,19S)-13-[2-(ethylamino)-2-oxoacetyl]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-3-yl]carbamate;2-[(3S,13S,16S,17R,19S)-3-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-N-ethyl-2-oxoacetamide;N-cyclopropyl-2-[(3S,13S,16S,17R,19S)-3-[[(2S)-3,3-dimethyl-1-[methyl(thiophen-2-ylsulfonyl)amino]butan-2-yl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxoacetamide;N-(cyclopropylmethyl)-2-[(3S,13S,16S,17R,19S)-3-[[(2S)-3,3-dimethyl-1-[methyl(thiophen-2-ylsulfonyl)amino]butan-2-yl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxoacetamide;2-[(3S,13S,16S,17R,19S)-3-[[(2S)-3,3-dimethyl-1-[methyl(thiophen-2-ylsulfonyl)amino]butan-2-yl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-N-ethyl-2-oxoacetamide.
What is the SMILES notation for tert-butyl N-[(3S,13S,16S,17R,19S)-13-[2-(cyclopropylamino)-2-oxoacetyl]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-3-yl]carbamate;tert-butyl N-[(3S,13S,16S,17R,19S)-13-[2-(ethylamino)-2-oxoacetyl]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-3-yl]carbamate;2-[(3S,13S,16S,17R,19S)-3-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-N-ethyl-2-oxoacetamide;N-cyclopropyl-2-[(3S,13S,16S,17R,19S)-3-[[(2S)-3,3-dimethyl-1-[methyl(thiophen-2-ylsulfonyl)amino]butan-2-yl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxoacetamide;N-(cyclopropylmethyl)-2-[(3S,13S,16S,17R,19S)-3-[[(2S)-3,3-dimethyl-1-[methyl(thiophen-2-ylsulfonyl)amino]butan-2-yl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxoacetamide;2-[(3S,13S,16S,17R,19S)-3-[[(2S)-3,3-dimethyl-1-[methyl(thiophen-2-ylsulfonyl)amino]butan-2-yl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-N-ethyl-2-oxoacetamide?
The canonical SMILES for tert-butyl N-[(3S,13S,16S,17R,19S)-13-[2-(cyclopropylamino)-2-oxoacetyl]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-3-yl]carbamate;tert-butyl N-[(3S,13S,16S,17R,19S)-13-[2-(ethylamino)-2-oxoacetyl]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-3-yl]carbamate;2-[(3S,13S,16S,17R,19S)-3-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-N-ethyl-2-oxoacetamide;N-cyclopropyl-2-[(3S,13S,16S,17R,19S)-3-[[(2S)-3,3-dimethyl-1-[methyl(thiophen-2-ylsulfonyl)amino]butan-2-yl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxoacetamide;N-(cyclopropylmethyl)-2-[(3S,13S,16S,17R,19S)-3-[[(2S)-3,3-dimethyl-1-[methyl(thiophen-2-ylsulfonyl)amino]butan-2-yl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxoacetamide;2-[(3S,13S,16S,17R,19S)-3-[[(2S)-3,3-dimethyl-1-[methyl(thiophen-2-ylsulfonyl)amino]butan-2-yl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-N-ethyl-2-oxoacetamide is CC(C)(C)OC(=O)N[C@H]1CCCCCCCCC[C@@H](C(=O)C(=O)NC2CC2)NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C.CCNC(=O)C(=O)[C@@H]1CCCCCCCCC[C@H](NC(=O)NC2(CS(=O)(=O)C(C)(C)C)CCCCC2)C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N1)C3(C)C.CCNC(=O)C(=O)[C@@H]1CCCCCCCCC[C@H](NC(=O)N[C@H](CN(C)S(=O)(=O)c2cccs2)C(C)(C)C)C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N1)C3(C)C.CCNC(=O)C(=O)[C@@H]1CCCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N1)C3(C)C.CN(C[C@@H](NC(=O)N[C@H]1CCCCCCCCC[C@@H](C(=O)C(=O)NC2CC2)NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C)C(C)(C)C)S(=O)(=O)c1cccs1.CN(C[C@@H](NC(=O)N[C@H]1CCCCCCCCC[C@@H](C(=O)C(=O)NCC2CC2)NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C)C(C)(C)C)S(=O)(=O)c1cccs1.
What is the InChIKey of tert-butyl N-[(3S,13S,16S,17R,19S)-13-[2-(cyclopropylamino)-2-oxoacetyl]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-3-yl]carbamate;tert-butyl N-[(3S,13S,16S,17R,19S)-13-[2-(ethylamino)-2-oxoacetyl]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-3-yl]carbamate;2-[(3S,13S,16S,17R,19S)-3-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-N-ethyl-2-oxoacetamide;N-cyclopropyl-2-[(3S,13S,16S,17R,19S)-3-[[(2S)-3,3-dimethyl-1-[methyl(thiophen-2-ylsulfonyl)amino]butan-2-yl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxoacetamide;N-(cyclopropylmethyl)-2-[(3S,13S,16S,17R,19S)-3-[[(2S)-3,3-dimethyl-1-[methyl(thiophen-2-ylsulfonyl)amino]butan-2-yl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxoacetamide;2-[(3S,13S,16S,17R,19S)-3-[[(2S)-3,3-dimethyl-1-[methyl(thiophen-2-ylsulfonyl)amino]butan-2-yl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-N-ethyl-2-oxoacetamide?
The InChIKey is GBFDBGOCHAPLDJ-YKXBERNQSA-N. The full InChI is InChI=1S/C38H60N6O7S2.C37H58N6O7S2.C36H58N6O7S2.C36H61N5O7S.C30H48N4O6.C29H48N4O6/c1-37(2,3)28(23-43(6)53(50,51)29-17-14-20-52-29)42-36(49)41-27-16-13-11-9-7-8-10-12-15-26(32(45)34(47)39-21-24-18-19-24)40-33(46)31-30-25(38(30,4)5)22-44(31)35(27)48;1-36(2,3)27(22-42(6)52(49,50)28-17-14-20-51-28)41-35(48)40-26-16-13-11-9-7-8-10-12-15-25(31(44)33(46)38-23-18-19-23)39-32(45)30-29-24(37(29,4)5)21-43(30)34(26)47;1-8-37-32(45)30(43)24-17-14-12-10-9-11-13-15-18-25(33(46)42-21-23-28(36(23,5)6)29(42)31(44)38-24)39-34(47)40-26(35(2,3)4)22-41(7)51(48,49)27-19-16-20-50-27;1-7-37-31(44)29(42)25-18-14-11-9-8-10-12-15-19-26(32(45)41-22-24-27(35(24,5)6)28(41)30(43)38-25)39-33(46)40-36(20-16-13-17-21-36)23-49(47,48)34(2,3)4;1-29(2,3)40-28(39)33-21-14-12-10-8-6-7-9-11-13-20(24(35)26(37)31-18-15-16-18)32-25(36)23-22-19(30(22,4)5)17-34(23)27(21)38;1-7-30-25(36)23(34)19-15-13-11-9-8-10-12-14-16-20(32-27(38)39-28(2,3)4)26(37)33-17-18-21(29(18,5)6)22(33)24(35)31-19/h14,17,20,24-28,30-31H,7-13,15-16,18-19,21-23H2,1-6H3,(H,39,47)(H,40,46)(H2,41,42,49);14,17,20,23-27,29-30H,7-13,15-16,18-19,21-22H2,1-6H3,(H,38,46)(H,39,45)(H2,40,41,48);16,19-20,23-26,28-29H,8-15,17-18,21-22H2,1-7H3,(H,37,45)(H,38,44)(H2,39,40,47);24-28H,7-23H2,1-6H3,(H,37,44)(H,38,43)(H2,39,40,46);18-23H,6-17H2,1-5H3,(H,31,37)(H,32,36)(H,33,39);18-22H,7-17H2,1-6H3,(H,30,36)(H,31,35)(H,32,38)/t25-,26-,27-,28+,30-,31-;24-,25-,26-,27+,29-,30-;23-,24-,25-,26+,28-,29-;24-,25-,26-,27-,28-;19-,20-,21-,22-,23-;18-,19-,20-,21-,22-/m000000/s1.
What are the key properties of tert-butyl N-[(3S,13S,16S,17R,19S)-13-[2-(cyclopropylamino)-2-oxoacetyl]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-3-yl]carbamate;tert-butyl N-[(3S,13S,16S,17R,19S)-13-[2-(ethylamino)-2-oxoacetyl]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-3-yl]carbamate;2-[(3S,13S,16S,17R,19S)-3-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-N-ethyl-2-oxoacetamide;N-cyclopropyl-2-[(3S,13S,16S,17R,19S)-3-[[(2S)-3,3-dimethyl-1-[methyl(thiophen-2-ylsulfonyl)amino]butan-2-yl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxoacetamide;N-(cyclopropylmethyl)-2-[(3S,13S,16S,17R,19S)-3-[[(2S)-3,3-dimethyl-1-[methyl(thiophen-2-ylsulfonyl)amino]butan-2-yl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxoacetamide;2-[(3S,13S,16S,17R,19S)-3-[[(2S)-3,3-dimethyl-1-[methyl(thiophen-2-ylsulfonyl)amino]butan-2-yl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-N-ethyl-2-oxoacetamide?
tert-butyl N-[(3S,13S,16S,17R,19S)-13-[2-(cyclopropylamino)-2-oxoacetyl]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-3-yl]carbamate;tert-butyl N-[(3S,13S,16S,17R,19S)-13-[2-(ethylamino)-2-oxoacetyl]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-3-yl]carbamate;2-[(3S,13S,16S,17R,19S)-3-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-N-ethyl-2-oxoacetamide;N-cyclopropyl-2-[(3S,13S,16S,17R,19S)-3-[[(2S)-3,3-dimethyl-1-[methyl(thiophen-2-ylsulfonyl)amino]butan-2-yl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxoacetamide;N-(cyclopropylmethyl)-2-[(3S,13S,16S,17R,19S)-3-[[(2S)-3,3-dimethyl-1-[methyl(thiophen-2-ylsulfonyl)amino]butan-2-yl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxoacetamide;2-[(3S,13S,16S,17R,19S)-3-[[(2S)-3,3-dimethyl-1-[methyl(thiophen-2-ylsulfonyl)amino]butan-2-yl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-N-ethyl-2-oxoacetamide has a molecular weight of 4108.58 g/mol, XLogP of 21.54, 43 rotatable bonds, 22 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S,13S,16S,17R,19S)-13-[2-(cyclopropylamino)-2-oxoacetyl]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-3-yl]carbamate;tert-butyl N-[(3S,13S,16S,17R,19S)-13-[2-(ethylamino)-2-oxoacetyl]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-3-yl]carbamate;2-[(3S,13S,16S,17R,19S)-3-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-N-ethyl-2-oxoacetamide;N-cyclopropyl-2-[(3S,13S,16S,17R,19S)-3-[[(2S)-3,3-dimethyl-1-[methyl(thiophen-2-ylsulfonyl)amino]butan-2-yl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxoacetamide;N-(cyclopropylmethyl)-2-[(3S,13S,16S,17R,19S)-3-[[(2S)-3,3-dimethyl-1-[methyl(thiophen-2-ylsulfonyl)amino]butan-2-yl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxoacetamide;2-[(3S,13S,16S,17R,19S)-3-[[(2S)-3,3-dimethyl-1-[methyl(thiophen-2-ylsulfonyl)amino]butan-2-yl]carbamoylamino]-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-N-ethyl-2-oxoacetamide is sourced from PubChem (CID 158203432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).