[(19S)-10,19-diethyl-19-[(2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoyl]oxy-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;[(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] 2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxyacetate;[(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] (2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoate;[(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] (2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoate;[(19S)-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(11),3,5,7,9,15(20)-heptaen-19-yl] (2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoate;dihydrochloride

C203H166Cl2N34O65 — CID 172945703

About [(19S)-10,19-diethyl-19-[(2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoyl]oxy-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;[(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] 2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxyacetate;[(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] (2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoate;[(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] (2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoate;[(19S)-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(11),3,5,7,9,15(20)-heptaen-19-yl] (2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoate;dihydrochloride

[(19S)-10,19-diethyl-19-[(2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoyl]oxy-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;[(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] 2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxyacetate;[(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] (2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoate;[(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] (2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoate;[(19S)-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(11),3,5,7,9,15(20)-heptaen-19-yl] (2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoate;dihydrochloride (PubChem CID 172945703) has the molecular formula C203H166Cl2N34O65 and a molecular weight of 4192.64 g/mol. Its IUPAC name is [(19S)-10,19-diethyl-19-[(2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoyl]oxy-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;[(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] 2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxyacetate;[(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] (2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoate;[(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] (2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoate;[(19S)-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(11),3,5,7,9,15(20)-heptaen-19-yl] (2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoate;dihydrochloride.

Molecular Properties

• Compound Name: [(19S)-10,19-diethyl-19-[(2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoyl]oxy-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;[(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] 2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxyacetate;[(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] (2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoate;[(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] (2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoate;[(19S)-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(11),3,5,7,9,15(20)-heptaen-19-yl] (2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoate;dihydrochloride
• PubChem CID: 172945703
• Molecular Formula: C203H166Cl2N34O65
• Molecular Weight: 4192.64 g/mol
• Exact Mass: 4189.01
• IUPAC Name: [(19S)-10,19-diethyl-19-[(2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoyl]oxy-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;[(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] 2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxyacetate;[(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] (2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoate;[(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] (2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoate;[(19S)-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(11),3,5,7,9,15(20)-heptaen-19-yl] (2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoate;dihydrochloride
• SMILES: CC[C@@]1(OC(=O)CO/N=C2/c3cc([N+](=O)[O-])cc(C)c3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1.CC[C@@]1(OC(=O)[C@H](C)O/N=C2/c3cc([N+](=O)[O-])cc(C)c3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1.CC[C@@]1(OC(=O)[C@H](C)O/N=C2/c3cc([N+](=O)[O-])cc(C)c3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(O)ccc3nc2-1.CC[C@@]1(OC(=O)[C@H](C)O/N=C2/c3cc([N+](=O)[O-])cc(C)c3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@@]3(CC)OC(=O)[C@H](C)O/N=C1/c2cc([N+](=O)[O-])cc(C)c2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-].Cl.Cl
• InChI: InChI=1S/C50H48N8O14.C40H33N7O13.C39H31N7O13.C37H26N6O13.C37H26N6O12.2ClH/c1-5-32-33-22-31(70-49(62)54-16-12-28(13-17-54)53-14-8-7-9-15-53)10-11-39(33)51-45-36(32)24-55-41(45)23-38-37(46(55)59)25-69-48(61)50(38,6-2)71-47(60)27(4)72-52-44-34-19-29(56(63)64)18-26(3)42(34)43-35(44)20-30(57(65)66)21-40(43)58(67)68;1-6-40(28-14-31-35-20(15-44(31)37(49)27(28)17-58-39(40)51)10-23-26(16-43(4)5)32(48)8-7-29(23)41-35)59-38(50)19(3)60-42-36-24-11-21(45(52)53)9-18(2)33(24)34-25(36)12-22(46(54)55)13-30(34)47(56)57;1-5-39(27-13-30-35-19(14-43(30)37(49)26(27)16-57-38(39)50)9-22-25(15-42(3)4)31(47)7-6-28(22)40-35)59-32(48)17-58-41-36-23-10-20(44(51)52)8-18(2)33(23)34-24(36)11-21(45(53)54)12-29(34)46(55)56;1-4-37(26-13-29-32-19(8-18-9-22(44)5-6-27(18)38-32)14-40(29)34(45)25(26)15-54-36(37)47)55-35(46)17(3)56-39-33-23-10-20(41(48)49)7-16(2)30(23)31-24(33)11-21(42(50)51)12-28(31)43(52)53;1-4-37(26-14-29-32-20(10-19-7-5-6-8-27(19)38-32)15-40(29)34(44)25(26)16-53-36(37)46)54-35(45)18(3)55-39-33-23-11-21(41(47)48)9-17(2)30(23)31-24(33)12-22(42(49)50)13-28(31)43(51)52;;/h10-11,18-23,27-28H,5-9,12-17,24-25H2,1-4H3;7-14,19,48H,6,15-17H2,1-5H3;6-13,47H,5,14-17H2,1-4H3;5-13,17,44H,4,14-15H2,1-3H3;5-14,18H,4,15-16H2,1-3H3;2*1H/b52-44-;42-36-;41-36-;2*39-33-;;/t27-,50-;19-,40-;39-;17-,37-;18-,37-;;/m00000../s1
• InChIKey: GGHNFMYFJTZNNS-AHKTZMQUSA-N
• XLogP: 29.21
• TPSA: 1292.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 83
• Rotatable Bonds: 47
• Heavy Atoms: 304
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4192.64
LogP ≤ 5	29.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	83

Frequently Asked Questions

What is the IUPAC name of [(19S)-10,19-diethyl-19-[(2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoyl]oxy-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;[(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] 2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxyacetate;[(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] (2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoate;[(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] (2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoate;[(19S)-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(11),3,5,7,9,15(20)-heptaen-19-yl] (2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoate;dihydrochloride?

The IUPAC name of [(19S)-10,19-diethyl-19-[(2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoyl]oxy-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;[(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] 2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxyacetate;[(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] (2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoate;[(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] (2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoate;[(19S)-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(11),3,5,7,9,15(20)-heptaen-19-yl] (2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoate;dihydrochloride (CID 172945703) is [(19S)-10,19-diethyl-19-[(2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoyl]oxy-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;[(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] 2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxyacetate;[(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] (2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoate;[(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] (2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoate;[(19S)-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(11),3,5,7,9,15(20)-heptaen-19-yl] (2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoate;dihydrochloride.

What is the SMILES notation for [(19S)-10,19-diethyl-19-[(2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoyl]oxy-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;[(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] 2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxyacetate;[(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] (2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoate;[(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] (2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoate;[(19S)-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(11),3,5,7,9,15(20)-heptaen-19-yl] (2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoate;dihydrochloride?

The canonical SMILES for [(19S)-10,19-diethyl-19-[(2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoyl]oxy-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;[(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] 2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxyacetate;[(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] (2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoate;[(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] (2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoate;[(19S)-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(11),3,5,7,9,15(20)-heptaen-19-yl] (2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoate;dihydrochloride is CC[C@@]1(OC(=O)CO/N=C2/c3cc([N+](=O)[O-])cc(C)c3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1.CC[C@@]1(OC(=O)[C@H](C)O/N=C2/c3cc([N+](=O)[O-])cc(C)c3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1.CC[C@@]1(OC(=O)[C@H](C)O/N=C2/c3cc([N+](=O)[O-])cc(C)c3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(O)ccc3nc2-1.CC[C@@]1(OC(=O)[C@H](C)O/N=C2/c3cc([N+](=O)[O-])cc(C)c3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@@]3(CC)OC(=O)[C@H](C)O/N=C1/c2cc([N+](=O)[O-])cc(C)c2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-].Cl.Cl.

What is the InChIKey of [(19S)-10,19-diethyl-19-[(2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoyl]oxy-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;[(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] 2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxyacetate;[(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] (2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoate;[(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] (2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoate;[(19S)-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(11),3,5,7,9,15(20)-heptaen-19-yl] (2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoate;dihydrochloride?

The InChIKey is GGHNFMYFJTZNNS-AHKTZMQUSA-N. The full InChI is InChI=1S/C50H48N8O14.C40H33N7O13.C39H31N7O13.C37H26N6O13.C37H26N6O12.2ClH/c1-5-32-33-22-31(70-49(62)54-16-12-28(13-17-54)53-14-8-7-9-15-53)10-11-39(33)51-45-36(32)24-55-41(45)23-38-37(46(55)59)25-69-48(61)50(38,6-2)71-47(60)27(4)72-52-44-34-19-29(56(63)64)18-26(3)42(34)43-35(44)20-30(57(65)66)21-40(43)58(67)68;1-6-40(28-14-31-35-20(15-44(31)37(49)27(28)17-58-39(40)51)10-23-26(16-43(4)5)32(48)8-7-29(23)41-35)59-38(50)19(3)60-42-36-24-11-21(45(52)53)9-18(2)33(24)34-25(36)12-22(46(54)55)13-30(34)47(56)57;1-5-39(27-13-30-35-19(14-43(30)37(49)26(27)16-57-38(39)50)9-22-25(15-42(3)4)31(47)7-6-28(22)40-35)59-32(48)17-58-41-36-23-10-20(44(51)52)8-18(2)33(23)34-24(36)11-21(45(53)54)12-29(34)46(55)56;1-4-37(26-13-29-32-19(8-18-9-22(44)5-6-27(18)38-32)14-40(29)34(45)25(26)15-54-36(37)47)55-35(46)17(3)56-39-33-23-10-20(41(48)49)7-16(2)30(23)31-24(33)11-21(42(50)51)12-28(31)43(52)53;1-4-37(26-14-29-32-20(10-19-7-5-6-8-27(19)38-32)15-40(29)34(44)25(26)16-53-36(37)46)54-35(45)18(3)55-39-33-23-11-21(41(47)48)9-17(2)30(23)31-24(33)12-22(42(49)50)13-28(31)43(51)52;;/h10-11,18-23,27-28H,5-9,12-17,24-25H2,1-4H3;7-14,19,48H,6,15-17H2,1-5H3;6-13,47H,5,14-17H2,1-4H3;5-13,17,44H,4,14-15H2,1-3H3;5-14,18H,4,15-16H2,1-3H3;2*1H/b52-44-;42-36-;41-36-;2*39-33-;;/t27-,50-;19-,40-;39-;17-,37-;18-,37-;;/m00000../s1.

What are the key properties of [(19S)-10,19-diethyl-19-[(2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoyl]oxy-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;[(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] 2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxyacetate;[(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] (2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoate;[(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] (2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoate;[(19S)-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(11),3,5,7,9,15(20)-heptaen-19-yl] (2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoate;dihydrochloride?

[(19S)-10,19-diethyl-19-[(2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoyl]oxy-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;[(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] 2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxyacetate;[(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] (2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoate;[(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] (2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoate;[(19S)-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(11),3,5,7,9,15(20)-heptaen-19-yl] (2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoate;dihydrochloride has a molecular weight of 4192.64 g/mol, XLogP of 29.21, 47 rotatable bonds, 3 hydrogen bond donors, and 83 hydrogen bond acceptors.

Where does this data come from?

All data for [(19S)-10,19-diethyl-19-[(2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoyl]oxy-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;[(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] 2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxyacetate;[(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] (2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoate;[(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] (2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoate;[(19S)-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(11),3,5,7,9,15(20)-heptaen-19-yl] (2S)-2-[(Z)-(4-methyl-2,5,7-trinitrofluoren-9-ylidene)amino]oxypropanoate;dihydrochloride is sourced from PubChem (CID 172945703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).