tert-butyl 4-[carbonochloridoyl(methyl)amino]piperidine-1-carboxylate;tert-butyl 4-[[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl]oxycarbonyl-methylamino]piperidine-1-carboxylate;tert-butyl 4-(methylamino)piperidine-1-carboxylate;(19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] N-[1-[2-[[(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]acetyl]piperidin-4-yl]-N-methylcarbamate;[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] N-methyl-N-piperidin-4-ylcarbamate;2-[[(5S,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]acetic acid;2,2,2-trifluoroacetic acid;hydrochloride

C185H243Cl2F3N22O39 — CID 167611130

IUPACtert-butyl 4-[carbonochloridoyl(methyl)amino]piperidine-1-carboxylate;tert-butyl 4-[[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl]oxycarbonyl-methylamino]piperidine-1-carboxylate;tert-butyl 4-(methylamino)piperidine-1-carboxylate;(19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] N-[1-[2-[[(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]acetyl]piperidin-4-yl]-N-methylcarbamate;[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] N-methyl-N-piperidin-4-ylcarbamate;2-[[(5S,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]acetic acid;2,2,2-trifluoroacetic acid;hydrochloride
SMILESCC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(OC(=O)N(C)C4CCN(C(=O)CO[C@H]5CC[C@H]6[C@@H]7CC[C@H]8CC(=O)CC[C@]8(C)[C@H]7CC[C@]56C)CC4)ccc3nc2-1.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(OC(=O)N(C)C4CCN(C(=O)OC(C)(C)C)CC4)ccc3nc2-1.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(OC(=O)N(C)C4CCNCC4)ccc3nc2-1.CN(C(=O)Cl)C1CCN(C(=O)OC(C)(C)C)CC1.CNC1CCN(C(=O)OC(C)(C)C)CC1.C[C@]12CCC(=O)C[C@@H]1CCC1[C@@H]2CC[C@]2(C)[C@@H](OCC(=O)O)CC[C@@H]12.Cl.O=C(O)C(F)(F)F
InChIInChI=1S/C51H65N5O9.C35H43N5O8.C30H35N5O6.C23H23N3O5.C21H32O4.C12H21ClN2O3.C11H22N2O2.C2HF3O2.ClH/c1-7-51(62)39-24-41-45-29(25-56(41)46(59)36(39)27-64-47(51)60)22-34-35(26-53(4)5)42(12-11-40(34)52-45)65-48(61)54(6)31-16-20-55(21-17-31)44(58)28-63-43-13-10-37-33-9-8-30-23-32(57)14-18-49(30,2)38(33)15-19-50(37,43)3;1-8-35(45)25-16-27-29-20(17-40(27)30(41)24(25)19-46-31(35)42)15-22-23(18-37(5)6)28(10-9-26(22)36-29)47-32(43)38(7)21-11-13-39(14-12-21)33(44)48-34(2,3)4;1-5-30(39)22-13-24-26-17(14-35(24)27(36)21(22)16-40-28(30)37)12-19-20(15-33(2)3)25(7-6-23(19)32-26)41-29(38)34(4)18-8-10-31-11-9-18;1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20;1-20-9-7-14(22)11-13(20)3-4-15-16-5-6-18(25-12-19(23)24)21(16,2)10-8-17(15)20;1-12(2,3)18-11(17)15-7-5-9(6-8-15)14(4)10(13)16;1-11(2,3)15-10(14)13-7-5-9(12-4)6-8-13;3-2(4,5)1(6)7;/h11-12,22,24,30-31,33,37-38,43,62H,7-10,13-21,23,25-28H2,1-6H3;9-10,15-16,21,45H,8,11-14,17-19H2,1-7H3;6-7,12-13,18,31,39H,5,8-11,14-16H2,1-4H3;5-8,27,30H,4,9-11H2,1-3H3;13,15-18H,3-12H2,1-2H3,(H,23,24);9H,5-8H2,1-4H3;9,12H,5-8H2,1-4H3;(H,6,7);1H/t30-,33-,37-,38-,43-,49-,50-,51-;35-;30-;23-;13-,15?,16-,17-,18-,20-,21-;;;;/m00000..../s1
InChIKeyAKOUNGJTDDWKOA-LRIZNLSYSA-N
MW3526.99 g/mol
LogP24.11
Rot. Bonds26

About tert-butyl 4-[carbonochloridoyl(methyl)amino]piperidine-1-carboxylate;tert-butyl 4-[[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl]oxycarbonyl-methylamino]piperidine-1-carboxylate;tert-butyl 4-(methylamino)piperidine-1-carboxylate;(19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] N-[1-[2-[[(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]acetyl]piperidin-4-yl]-N-methylcarbamate;[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] N-methyl-N-piperidin-4-ylcarbamate;2-[[(5S,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]acetic acid;2,2,2-trifluoroacetic acid;hydrochloride

tert-butyl 4-[carbonochloridoyl(methyl)amino]piperidine-1-carboxylate;tert-butyl 4-[[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl]oxycarbonyl-methylamino]piperidine-1-carboxylate;tert-butyl 4-(methylamino)piperidine-1-carboxylate;(19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] N-[1-[2-[[(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]acetyl]piperidin-4-yl]-N-methylcarbamate;[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] N-methyl-N-piperidin-4-ylcarbamate;2-[[(5S,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]acetic acid;2,2,2-trifluoroacetic acid;hydrochloride (PubChem CID 167611130) has the molecular formula C185H243Cl2F3N22O39 and a molecular weight of 3526.99 g/mol. Its IUPAC name is tert-butyl 4-[carbonochloridoyl(methyl)amino]piperidine-1-carboxylate;tert-butyl 4-[[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl]oxycarbonyl-methylamino]piperidine-1-carboxylate;tert-butyl 4-(methylamino)piperidine-1-carboxylate;(19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] N-[1-[2-[[(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]acetyl]piperidin-4-yl]-N-methylcarbamate;[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] N-methyl-N-piperidin-4-ylcarbamate;2-[[(5S,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]acetic acid;2,2,2-trifluoroacetic acid;hydrochloride.

Molecular Properties

Compound Nametert-butyl 4-[carbonochloridoyl(methyl)amino]piperidine-1-carboxylate;tert-butyl 4-[[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl]oxycarbonyl-methylamino]piperidine-1-carboxylate;tert-butyl 4-(methylamino)piperidine-1-carboxylate;(19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] N-[1-[2-[[(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]acetyl]piperidin-4-yl]-N-methylcarbamate;[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] N-methyl-N-piperidin-4-ylcarbamate;2-[[(5S,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]acetic acid;2,2,2-trifluoroacetic acid;hydrochloride
PubChem CID167611130
Molecular FormulaC185H243Cl2F3N22O39
Molecular Weight3526.99 g/mol
Exact Mass3523.70
IUPAC Nametert-butyl 4-[carbonochloridoyl(methyl)amino]piperidine-1-carboxylate;tert-butyl 4-[[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl]oxycarbonyl-methylamino]piperidine-1-carboxylate;tert-butyl 4-(methylamino)piperidine-1-carboxylate;(19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] N-[1-[2-[[(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]acetyl]piperidin-4-yl]-N-methylcarbamate;[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] N-methyl-N-piperidin-4-ylcarbamate;2-[[(5S,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]acetic acid;2,2,2-trifluoroacetic acid;hydrochloride
SMILESCC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(OC(=O)N(C)C4CCN(C(=O)CO[C@H]5CC[C@H]6[C@@H]7CC[C@H]8CC(=O)CC[C@]8(C)[C@H]7CC[C@]56C)CC4)ccc3nc2-1.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(OC(=O)N(C)C4CCN(C(=O)OC(C)(C)C)CC4)ccc3nc2-1.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(OC(=O)N(C)C4CCNCC4)ccc3nc2-1.CN(C(=O)Cl)C1CCN(C(=O)OC(C)(C)C)CC1.CNC1CCN(C(=O)OC(C)(C)C)CC1.C[C@]12CCC(=O)C[C@@H]1CCC1[C@@H]2CC[C@]2(C)[C@@H](OCC(=O)O)CC[C@@H]12.Cl.O=C(O)C(F)(F)F
InChIInChI=1S/C51H65N5O9.C35H43N5O8.C30H35N5O6.C23H23N3O5.C21H32O4.C12H21ClN2O3.C11H22N2O2.C2HF3O2.ClH/c1-7-51(62)39-24-41-45-29(25-56(41)46(59)36(39)27-64-47(51)60)22-34-35(26-53(4)5)42(12-11-40(34)52-45)65-48(61)54(6)31-16-20-55(21-17-31)44(58)28-63-43-13-10-37-33-9-8-30-23-32(57)14-18-49(30,2)38(33)15-19-50(37,43)3;1-8-35(45)25-16-27-29-20(17-40(27)30(41)24(25)19-46-31(35)42)15-22-23(18-37(5)6)28(10-9-26(22)36-29)47-32(43)38(7)21-11-13-39(14-12-21)33(44)48-34(2,3)4;1-5-30(39)22-13-24-26-17(14-35(24)27(36)21(22)16-40-28(30)37)12-19-20(15-33(2)3)25(7-6-23(19)32-26)41-29(38)34(4)18-8-10-31-11-9-18;1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20;1-20-9-7-14(22)11-13(20)3-4-15-16-5-6-18(25-12-19(23)24)21(16,2)10-8-17(15)20;1-12(2,3)18-11(17)15-7-5-9(6-8-15)14(4)10(13)16;1-11(2,3)15-10(14)13-7-5-9(12-4)6-8-13;3-2(4,5)1(6)7;/h11-12,22,24,30-31,33,37-38,43,62H,7-10,13-21,23,25-28H2,1-6H3;9-10,15-16,21,45H,8,11-14,17-19H2,1-7H3;6-7,12-13,18,31,39H,5,8-11,14-16H2,1-4H3;5-8,27,30H,4,9-11H2,1-3H3;13,15-18H,3-12H2,1-2H3,(H,23,24);9H,5-8H2,1-4H3;9,12H,5-8H2,1-4H3;(H,6,7);1H/t30-,33-,37-,38-,43-,49-,50-,51-;35-;30-;23-;13-,15?,16-,17-,18-,20-,21-;;;;/m00000..../s1
InChIKeyAKOUNGJTDDWKOA-LRIZNLSYSA-N
XLogP24.11
TPSA727.99 Ų
H-Bond Donors9
H-Bond Acceptors51
Rotatable Bonds26
Heavy Atoms251
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003526.99
LogP ≤ 524.11
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1051

Analyze tert-butyl 4-[carbonochloridoyl(methyl)amino]piperidine-1-carboxylate;tert-butyl 4-[[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl]oxycarbonyl-methylamino]piperidine-1-carboxylate;tert-butyl 4-(methylamino)piperidine-1-carboxylate;(19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] N-[1-[2-[[(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]acetyl]piperidin-4-yl]-N-methylcarbamate;[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] N-methyl-N-piperidin-4-ylcarbamate;2-[[(5S,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]acetic acid;2,2,2-trifluoroacetic acid;hydrochloride with MolForge

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Related Compounds

[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] 4-[[2-[[(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]acetyl]-methylamino]piperidine-1-carboxylate
CID 165145978
2-[[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl]oxycarbonylamino]acetic acid
CID 163282826
4-O-tert-butyl 1-O-[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] (2R,5R)-2,5-dimethylpiperidine-1,4-dicarboxylate
CID 166011568
19-ethyl-8-[[ethyl(methyl)amino]methyl]-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
CID 72574185
(19S)-8-[[4-(dimethylamino)piperidin-1-yl]methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
CID 170079075
[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] 4-[6-[4-[(8S,11R,14S,17R)-17-acetyl-17-acetyloxy-3-oxo-2,6,7,8,11,12,13,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-11-yl]-N-methylanilino]hexanoyl]piperazine-1-carboxylate
CID 165146163
(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-7-[(2-methylpropan-2-yl)oxy]-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;(19S)-8-[(dimethylamino)methyl]-19-ethyl-7-hydroxy-19-[(2-methylpropan-2-yl)oxy]-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-4-azahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1(24),2(14),6(11),12,15,17,19-heptaen-23-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide;N-[(10S,23S)-10-ethyl-18-fluoro-19-methyl-10-[(2-methylpropan-2-yl)oxy]-5,9-dioxo-8-oxa-4-azahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1(24),2(14),6(11),12,15,17,19-heptaen-23-yl]-2-hydroxyacetamide
CID 158255491
(19S)-8-[[azidomethyl(methyl)amino]methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
CID 129137078
19-ethyl-7,19-dihydroxy-8-(methylaminomethyl)-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
CID 75085602
[(19S)-8-butyl-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] 4-piperidin-1-ylpiperidine-1-carboxylate
CID 24873426
[(19S)-8-[(dimethylamino)methyl]-19-ethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] acetate
CID 139394810
(19S)-7-[1-[6-[4-[(11R,13S,17S)-17-acetyl-13,17-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]-N-methylanilino]hexyl]piperidin-4-yl]oxy-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;[(8S,11R,13S,14S,17R)-17-acetyl-13-methyl-11-[4-[methyl(6-oxohexyl)amino]phenyl]-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate;tert-butyl 4-[[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl]oxy]piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-iodopiperidine-1-carboxylate;(19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-7-piperidin-4-yloxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;piperidin-4-ol
CID 167653965

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[carbonochloridoyl(methyl)amino]piperidine-1-carboxylate;tert-butyl 4-[[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl]oxycarbonyl-methylamino]piperidine-1-carboxylate;tert-butyl 4-(methylamino)piperidine-1-carboxylate;(19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] N-[1-[2-[[(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]acetyl]piperidin-4-yl]-N-methylcarbamate;[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] N-methyl-N-piperidin-4-ylcarbamate;2-[[(5S,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]acetic acid;2,2,2-trifluoroacetic acid;hydrochloride?
The IUPAC name of tert-butyl 4-[carbonochloridoyl(methyl)amino]piperidine-1-carboxylate;tert-butyl 4-[[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl]oxycarbonyl-methylamino]piperidine-1-carboxylate;tert-butyl 4-(methylamino)piperidine-1-carboxylate;(19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] N-[1-[2-[[(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]acetyl]piperidin-4-yl]-N-methylcarbamate;[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] N-methyl-N-piperidin-4-ylcarbamate;2-[[(5S,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]acetic acid;2,2,2-trifluoroacetic acid;hydrochloride (CID 167611130) is tert-butyl 4-[carbonochloridoyl(methyl)amino]piperidine-1-carboxylate;tert-butyl 4-[[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl]oxycarbonyl-methylamino]piperidine-1-carboxylate;tert-butyl 4-(methylamino)piperidine-1-carboxylate;(19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] N-[1-[2-[[(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]acetyl]piperidin-4-yl]-N-methylcarbamate;[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] N-methyl-N-piperidin-4-ylcarbamate;2-[[(5S,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]acetic acid;2,2,2-trifluoroacetic acid;hydrochloride.
What is the SMILES notation for tert-butyl 4-[carbonochloridoyl(methyl)amino]piperidine-1-carboxylate;tert-butyl 4-[[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl]oxycarbonyl-methylamino]piperidine-1-carboxylate;tert-butyl 4-(methylamino)piperidine-1-carboxylate;(19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] N-[1-[2-[[(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]acetyl]piperidin-4-yl]-N-methylcarbamate;[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] N-methyl-N-piperidin-4-ylcarbamate;2-[[(5S,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]acetic acid;2,2,2-trifluoroacetic acid;hydrochloride?
The canonical SMILES for tert-butyl 4-[carbonochloridoyl(methyl)amino]piperidine-1-carboxylate;tert-butyl 4-[[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl]oxycarbonyl-methylamino]piperidine-1-carboxylate;tert-butyl 4-(methylamino)piperidine-1-carboxylate;(19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] N-[1-[2-[[(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]acetyl]piperidin-4-yl]-N-methylcarbamate;[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] N-methyl-N-piperidin-4-ylcarbamate;2-[[(5S,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]acetic acid;2,2,2-trifluoroacetic acid;hydrochloride is CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(OC(=O)N(C)C4CCN(C(=O)CO[C@H]5CC[C@H]6[C@@H]7CC[C@H]8CC(=O)CC[C@]8(C)[C@H]7CC[C@]56C)CC4)ccc3nc2-1.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(OC(=O)N(C)C4CCN(C(=O)OC(C)(C)C)CC4)ccc3nc2-1.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(OC(=O)N(C)C4CCNCC4)ccc3nc2-1.CN(C(=O)Cl)C1CCN(C(=O)OC(C)(C)C)CC1.CNC1CCN(C(=O)OC(C)(C)C)CC1.C[C@]12CCC(=O)C[C@@H]1CCC1[C@@H]2CC[C@]2(C)[C@@H](OCC(=O)O)CC[C@@H]12.Cl.O=C(O)C(F)(F)F.
What is the InChIKey of tert-butyl 4-[carbonochloridoyl(methyl)amino]piperidine-1-carboxylate;tert-butyl 4-[[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl]oxycarbonyl-methylamino]piperidine-1-carboxylate;tert-butyl 4-(methylamino)piperidine-1-carboxylate;(19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] N-[1-[2-[[(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]acetyl]piperidin-4-yl]-N-methylcarbamate;[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] N-methyl-N-piperidin-4-ylcarbamate;2-[[(5S,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]acetic acid;2,2,2-trifluoroacetic acid;hydrochloride?
The InChIKey is AKOUNGJTDDWKOA-LRIZNLSYSA-N. The full InChI is InChI=1S/C51H65N5O9.C35H43N5O8.C30H35N5O6.C23H23N3O5.C21H32O4.C12H21ClN2O3.C11H22N2O2.C2HF3O2.ClH/c1-7-51(62)39-24-41-45-29(25-56(41)46(59)36(39)27-64-47(51)60)22-34-35(26-53(4)5)42(12-11-40(34)52-45)65-48(61)54(6)31-16-20-55(21-17-31)44(58)28-63-43-13-10-37-33-9-8-30-23-32(57)14-18-49(30,2)38(33)15-19-50(37,43)3;1-8-35(45)25-16-27-29-20(17-40(27)30(41)24(25)19-46-31(35)42)15-22-23(18-37(5)6)28(10-9-26(22)36-29)47-32(43)38(7)21-11-13-39(14-12-21)33(44)48-34(2,3)4;1-5-30(39)22-13-24-26-17(14-35(24)27(36)21(22)16-40-28(30)37)12-19-20(15-33(2)3)25(7-6-23(19)32-26)41-29(38)34(4)18-8-10-31-11-9-18;1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20;1-20-9-7-14(22)11-13(20)3-4-15-16-5-6-18(25-12-19(23)24)21(16,2)10-8-17(15)20;1-12(2,3)18-11(17)15-7-5-9(6-8-15)14(4)10(13)16;1-11(2,3)15-10(14)13-7-5-9(12-4)6-8-13;3-2(4,5)1(6)7;/h11-12,22,24,30-31,33,37-38,43,62H,7-10,13-21,23,25-28H2,1-6H3;9-10,15-16,21,45H,8,11-14,17-19H2,1-7H3;6-7,12-13,18,31,39H,5,8-11,14-16H2,1-4H3;5-8,27,30H,4,9-11H2,1-3H3;13,15-18H,3-12H2,1-2H3,(H,23,24);9H,5-8H2,1-4H3;9,12H,5-8H2,1-4H3;(H,6,7);1H/t30-,33-,37-,38-,43-,49-,50-,51-;35-;30-;23-;13-,15?,16-,17-,18-,20-,21-;;;;/m00000..../s1.
What are the key properties of tert-butyl 4-[carbonochloridoyl(methyl)amino]piperidine-1-carboxylate;tert-butyl 4-[[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl]oxycarbonyl-methylamino]piperidine-1-carboxylate;tert-butyl 4-(methylamino)piperidine-1-carboxylate;(19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] N-[1-[2-[[(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]acetyl]piperidin-4-yl]-N-methylcarbamate;[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] N-methyl-N-piperidin-4-ylcarbamate;2-[[(5S,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]acetic acid;2,2,2-trifluoroacetic acid;hydrochloride?
tert-butyl 4-[carbonochloridoyl(methyl)amino]piperidine-1-carboxylate;tert-butyl 4-[[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl]oxycarbonyl-methylamino]piperidine-1-carboxylate;tert-butyl 4-(methylamino)piperidine-1-carboxylate;(19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] N-[1-[2-[[(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]acetyl]piperidin-4-yl]-N-methylcarbamate;[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] N-methyl-N-piperidin-4-ylcarbamate;2-[[(5S,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]acetic acid;2,2,2-trifluoroacetic acid;hydrochloride has a molecular weight of 3526.99 g/mol, XLogP of 24.11, 26 rotatable bonds, 9 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[carbonochloridoyl(methyl)amino]piperidine-1-carboxylate;tert-butyl 4-[[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl]oxycarbonyl-methylamino]piperidine-1-carboxylate;tert-butyl 4-(methylamino)piperidine-1-carboxylate;(19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] N-[1-[2-[[(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]acetyl]piperidin-4-yl]-N-methylcarbamate;[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] N-methyl-N-piperidin-4-ylcarbamate;2-[[(5S,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]acetic acid;2,2,2-trifluoroacetic acid;hydrochloride is sourced from PubChem (CID 167611130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).