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

C187H303N31O40S2 — CID 161071560

IUPAC2-[(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
SMILESC=CCNC(=O)C(=O)[C@@H]1CCCCCCCNC[C@H](NC(=O)N[C@H](CN2C(=O)CC(C)(C)CC2=O)C(C)(C)C)C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N1)C3(C)C.C=CCNC(=O)C(=O)[C@@H]1CCCCCCCO[C@@H](C)[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.C=CCNC(=O)C(=O)[C@@H]1CCCCNC(=O)OCCC[C@H](NC(=O)N[C@H](CN2C(=O)CC(C)(C)CC2=O)C(C)(C)C)C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N1)C3(C)C.CCS(=O)(=O)N(C)C[C@@H](NC(=O)N[C@@H]1C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N[C@H](C(=O)C(=O)NC2CC2)CCCCCCCO[C@H]1C)C3(C)C)C(C)(C)C.C[C@@H]1OCCCCCCC[C@@H](C(=O)C(=O)NC2CC2)NC(=O)[C@@H]2[C@@H]3[C@H](CN2C(=O)[C@H]1NC(=O)N[C@H](CN1C(=O)CC(C)(C)CC1=O)C(C)(C)C)C3(C)C
InChIInChI=1S/C39H62N6O8.C38H59N7O9.C38H61N7O7.C37H61N5O8S.C35H60N6O8S/c1-22-30(43-36(52)42-26(37(2,3)4)21-44-27(46)18-38(5,6)19-28(44)47)35(51)45-20-24-29(39(24,7)8)31(45)33(49)41-25(14-12-10-9-11-13-17-53-22)32(48)34(50)40-23-15-16-23;1-9-15-39-32(50)30(48)23-13-10-11-16-40-35(53)54-17-12-14-24(33(51)45-20-22-28(38(22,7)8)29(45)31(49)41-23)42-34(52)43-25(36(2,3)4)21-44-26(46)18-37(5,6)19-27(44)47;1-9-16-40-33(50)31(48)24-15-13-11-10-12-14-17-39-20-25(34(51)45-21-23-29(38(23,7)8)30(45)32(49)41-24)42-35(52)43-26(36(2,3)4)22-44-27(46)18-37(5,6)19-28(44)47;1-8-20-38-32(45)30(43)26-17-13-10-9-11-16-21-50-24(2)28(33(46)42-22-25-27(36(25,6)7)29(42)31(44)39-26)40-34(47)41-37(18-14-12-15-19-37)23-51(48,49)35(3,4)5;1-9-50(47,48)40(8)20-25(34(3,4)5)38-33(46)39-27-21(2)49-18-14-12-10-11-13-15-24(29(42)31(44)36-22-16-17-22)37-30(43)28-26-23(35(26,6)7)19-41(28)32(27)45/h22-26,29-31H,9-21H2,1-8H3,(H,40,50)(H,41,49)(H2,42,43,52);9,22-25,28-29H,1,10-21H2,2-8H3,(H,39,50)(H,40,53)(H,41,49)(H2,42,43,52);9,23-26,29-30,39H,1,10-22H2,2-8H3,(H,40,50)(H,41,49)(H2,42,43,52);8,24-29H,1,9-23H2,2-7H3,(H,38,45)(H,39,44)(H2,40,41,47);21-28H,9-20H2,1-8H3,(H,36,44)(H,37,43)(H2,38,39,46)/t22-,24-,25-,26+,29-,30-,31-;22-,23-,24-,25+,28-,29-;23-,24-,25-,26+,29-,30-;24-,25-,26-,27-,28-,29-;21-,23-,24-,25+,26-,27-,28-/m00000/s1
InChIKeyUESPOEOPRZFPDJ-QNNPNRBBSA-N
MW3689.79 g/mol
LogP11.71
Rot. Bonds40

About 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

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 (PubChem CID 161071560) has the molecular formula C187H303N31O40S2 and a molecular weight of 3689.79 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(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
PubChem CID161071560
Molecular FormulaC187H303N31O40S2
Molecular Weight3689.79 g/mol
Exact Mass3687.21
IUPAC Name2-[(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
SMILESC=CCNC(=O)C(=O)[C@@H]1CCCCCCCNC[C@H](NC(=O)N[C@H](CN2C(=O)CC(C)(C)CC2=O)C(C)(C)C)C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N1)C3(C)C.C=CCNC(=O)C(=O)[C@@H]1CCCCCCCO[C@@H](C)[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.C=CCNC(=O)C(=O)[C@@H]1CCCCNC(=O)OCCC[C@H](NC(=O)N[C@H](CN2C(=O)CC(C)(C)CC2=O)C(C)(C)C)C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N1)C3(C)C.CCS(=O)(=O)N(C)C[C@@H](NC(=O)N[C@@H]1C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N[C@H](C(=O)C(=O)NC2CC2)CCCCCCCO[C@H]1C)C3(C)C)C(C)(C)C.C[C@@H]1OCCCCCCC[C@@H](C(=O)C(=O)NC2CC2)NC(=O)[C@@H]2[C@@H]3[C@H](CN2C(=O)[C@H]1NC(=O)N[C@H](CN1C(=O)CC(C)(C)CC1=O)C(C)(C)C)C3(C)C
InChIInChI=1S/C39H62N6O8.C38H59N7O9.C38H61N7O7.C37H61N5O8S.C35H60N6O8S/c1-22-30(43-36(52)42-26(37(2,3)4)21-44-27(46)18-38(5,6)19-28(44)47)35(51)45-20-24-29(39(24,7)8)31(45)33(49)41-25(14-12-10-9-11-13-17-53-22)32(48)34(50)40-23-15-16-23;1-9-15-39-32(50)30(48)23-13-10-11-16-40-35(53)54-17-12-14-24(33(51)45-20-22-28(38(22,7)8)29(45)31(49)41-23)42-34(52)43-25(36(2,3)4)21-44-26(46)18-37(5,6)19-27(44)47;1-9-16-40-33(50)31(48)24-15-13-11-10-12-14-17-39-20-25(34(51)45-21-23-29(38(23,7)8)30(45)32(49)41-24)42-35(52)43-26(36(2,3)4)22-44-27(46)18-37(5,6)19-28(44)47;1-8-20-38-32(45)30(43)26-17-13-10-9-11-16-21-50-24(2)28(33(46)42-22-25-27(36(25,6)7)29(42)31(44)39-26)40-34(47)41-37(18-14-12-15-19-37)23-51(48,49)35(3,4)5;1-9-50(47,48)40(8)20-25(34(3,4)5)38-33(46)39-27-21(2)49-18-14-12-10-11-13-15-24(29(42)31(44)36-22-16-17-22)37-30(43)28-26-23(35(26,6)7)19-41(28)32(27)45/h22-26,29-31H,9-21H2,1-8H3,(H,40,50)(H,41,49)(H2,42,43,52);9,22-25,28-29H,1,10-21H2,2-8H3,(H,39,50)(H,40,53)(H,41,49)(H2,42,43,52);9,23-26,29-30,39H,1,10-22H2,2-8H3,(H,40,50)(H,41,49)(H2,42,43,52);8,24-29H,1,9-23H2,2-7H3,(H,38,45)(H,39,44)(H2,40,41,47);21-28H,9-20H2,1-8H3,(H,36,44)(H,37,43)(H2,38,39,46)/t22-,24-,25-,26+,29-,30-,31-;22-,23-,24-,25+,28-,29-;23-,24-,25-,26+,29-,30-;24-,25-,26-,27-,28-,29-;21-,23-,24-,25+,26-,27-,28-/m00000/s1
InChIKeyUESPOEOPRZFPDJ-QNNPNRBBSA-N
XLogP11.71
TPSA945.26 Ų
H-Bond Donors22
H-Bond Acceptors41
Rotatable Bonds40
Heavy Atoms260
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003689.79
LogP ≤ 511.71
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1041

Analyze 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 with MolForge

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Related Compounds

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-[3-[[1-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-3,3-dimethylbutan-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 72968974
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
2-[(3R,13R,16S,17R,19S)-3-[[(2S)-1-(4,4-dimethyl-2-oxopiperidin-1-yl)-3,3-dimethylbutan-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 11158364
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
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
N-cyclopropyl-2-[(3S,4S,13S,16S,17R,19S)-3-[[(2S)-3,3-dimethyl-1-(3-methyl-6-methylidene-2,7-dioxoazepan-1-yl)butan-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
CID 70263129
2-[(3R,13R,16S,17R,19S)-3-[[(2S)-1-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutan-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 11193458
2-[(3S,13S,16R,17R,19S)-3-(2-tert-butylsulfonylethylcarbamoylamino)-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxo-N-prop-2-enylacetamide
CID 24965676
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
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-[(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CCNC(=O)C(=O)[C@@H]1CCCCCCCNC[C@H](NC(=O)N[C@H](CN2C(=O)CC(C)(C)CC2=O)C(C)(C)C)C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N1)C3(C)C.C=CCNC(=O)C(=O)[C@@H]1CCCCCCCO[C@@H](C)[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.C=CCNC(=O)C(=O)[C@@H]1CCCCNC(=O)OCCC[C@H](NC(=O)N[C@H](CN2C(=O)CC(C)(C)CC2=O)C(C)(C)C)C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N1)C3(C)C.CCS(=O)(=O)N(C)C[C@@H](NC(=O)N[C@@H]1C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N[C@H](C(=O)C(=O)NC2CC2)CCCCCCCO[C@H]1C)C3(C)C)C(C)(C)C.C[C@@H]1OCCCCCCC[C@@H](C(=O)C(=O)NC2CC2)NC(=O)[C@@H]2[C@@H]3[C@H](CN2C(=O)[C@H]1NC(=O)N[C@H](CN1C(=O)CC(C)(C)CC1=O)C(C)(C)C)C3(C)C.
What is the InChIKey of 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?
The InChIKey is UESPOEOPRZFPDJ-QNNPNRBBSA-N. The full InChI is InChI=1S/C39H62N6O8.C38H59N7O9.C38H61N7O7.C37H61N5O8S.C35H60N6O8S/c1-22-30(43-36(52)42-26(37(2,3)4)21-44-27(46)18-38(5,6)19-28(44)47)35(51)45-20-24-29(39(24,7)8)31(45)33(49)41-25(14-12-10-9-11-13-17-53-22)32(48)34(50)40-23-15-16-23;1-9-15-39-32(50)30(48)23-13-10-11-16-40-35(53)54-17-12-14-24(33(51)45-20-22-28(38(22,7)8)29(45)31(49)41-23)42-34(52)43-25(36(2,3)4)21-44-26(46)18-37(5,6)19-27(44)47;1-9-16-40-33(50)31(48)24-15-13-11-10-12-14-17-39-20-25(34(51)45-21-23-29(38(23,7)8)30(45)32(49)41-24)42-35(52)43-26(36(2,3)4)22-44-27(46)18-37(5,6)19-28(44)47;1-8-20-38-32(45)30(43)26-17-13-10-9-11-16-21-50-24(2)28(33(46)42-22-25-27(36(25,6)7)29(42)31(44)39-26)40-34(47)41-37(18-14-12-15-19-37)23-51(48,49)35(3,4)5;1-9-50(47,48)40(8)20-25(34(3,4)5)38-33(46)39-27-21(2)49-18-14-12-10-11-13-15-24(29(42)31(44)36-22-16-17-22)37-30(43)28-26-23(35(26,6)7)19-41(28)32(27)45/h22-26,29-31H,9-21H2,1-8H3,(H,40,50)(H,41,49)(H2,42,43,52);9,22-25,28-29H,1,10-21H2,2-8H3,(H,39,50)(H,40,53)(H,41,49)(H2,42,43,52);9,23-26,29-30,39H,1,10-22H2,2-8H3,(H,40,50)(H,41,49)(H2,42,43,52);8,24-29H,1,9-23H2,2-7H3,(H,38,45)(H,39,44)(H2,40,41,47);21-28H,9-20H2,1-8H3,(H,36,44)(H,37,43)(H2,38,39,46)/t22-,24-,25-,26+,29-,30-,31-;22-,23-,24-,25+,28-,29-;23-,24-,25-,26+,29-,30-;24-,25-,26-,27-,28-,29-;21-,23-,24-,25+,26-,27-,28-/m00000/s1.
What are the key properties of 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?
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 has a molecular weight of 3689.79 g/mol, XLogP of 11.71, 40 rotatable bonds, 22 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161071560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).