1-O-[2-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethoxy]ethyl] 5-O-(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) pentanedioate;1-O-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethyl] 5-O-[(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)oxycarbonyl] pentanedioate;1-O-[2-[2-[2-[3-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]propoxy]ethoxy]ethoxy]ethyl] 5-O-[(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)oxycarbonyl] pentanedioate;2-[2-[2-[(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)oxycarbonylamino]ethoxy]ethoxy]ethyl 5-(dithiolan-3-yl)pentanoate;2-[2-[(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)oxycarbonylamino]ethoxy]ethyl 5-(dithiolan-3-yl)pentanoate

C194H230N12O57S10 — CID 159721254

About 1-O-[2-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethoxy]ethyl] 5-O-(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) pentanedioate;1-O-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethyl] 5-O-[(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)oxycarbonyl] pentanedioate;1-O-[2-[2-[2-[3-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]propoxy]ethoxy]ethoxy]ethyl] 5-O-[(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)oxycarbonyl] pentanedioate;2-[2-[2-[(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)oxycarbonylamino]ethoxy]ethoxy]ethyl 5-(dithiolan-3-yl)pentanoate;2-[2-[(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)oxycarbonylamino]ethoxy]ethyl 5-(dithiolan-3-yl)pentanoate

1-O-[2-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethoxy]ethyl] 5-O-(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) pentanedioate;1-O-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethyl] 5-O-[(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)oxycarbonyl] pentanedioate;1-O-[2-[2-[2-[3-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]propoxy]ethoxy]ethoxy]ethyl] 5-O-[(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)oxycarbonyl] pentanedioate;2-[2-[2-[(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)oxycarbonylamino]ethoxy]ethoxy]ethyl 5-(dithiolan-3-yl)pentanoate;2-[2-[(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)oxycarbonylamino]ethoxy]ethyl 5-(dithiolan-3-yl)pentanoate (PubChem CID 159721254) has the molecular formula C194H230N12O57S10 and a molecular weight of 3962.67 g/mol. Its IUPAC name is 1-O-[2-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethoxy]ethyl] 5-O-(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) pentanedioate;1-O-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethyl] 5-O-[(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)oxycarbonyl] pentanedioate;1-O-[2-[2-[2-[3-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]propoxy]ethoxy]ethoxy]ethyl] 5-O-[(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)oxycarbonyl] pentanedioate;2-[2-[2-[(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)oxycarbonylamino]ethoxy]ethoxy]ethyl 5-(dithiolan-3-yl)pentanoate;2-[2-[(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)oxycarbonylamino]ethoxy]ethyl 5-(dithiolan-3-yl)pentanoate.

Molecular Properties

• Compound Name: 1-O-[2-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethoxy]ethyl] 5-O-(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) pentanedioate;1-O-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethyl] 5-O-[(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)oxycarbonyl] pentanedioate;1-O-[2-[2-[2-[3-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]propoxy]ethoxy]ethoxy]ethyl] 5-O-[(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)oxycarbonyl] pentanedioate;2-[2-[2-[(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)oxycarbonylamino]ethoxy]ethoxy]ethyl 5-(dithiolan-3-yl)pentanoate;2-[2-[(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)oxycarbonylamino]ethoxy]ethyl 5-(dithiolan-3-yl)pentanoate
• PubChem CID: 159721254
• Molecular Formula: C194H230N12O57S10
• Molecular Weight: 3962.67 g/mol
• Exact Mass: 3959.27
• IUPAC Name: 1-O-[2-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethoxy]ethyl] 5-O-(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) pentanedioate;1-O-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethyl] 5-O-[(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)oxycarbonyl] pentanedioate;1-O-[2-[2-[2-[3-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]propoxy]ethoxy]ethoxy]ethyl] 5-O-[(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)oxycarbonyl] pentanedioate;2-[2-[2-[(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)oxycarbonylamino]ethoxy]ethoxy]ethyl 5-(dithiolan-3-yl)pentanoate;2-[2-[(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)oxycarbonylamino]ethoxy]ethyl 5-(dithiolan-3-yl)pentanoate
• SMILES: CCC1(OC(=O)CCCC(=O)OCCOCCOCCOCCOC(=O)CCCCC2CCSS2)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.CCC1(OC(=O)NCCOCCOC(=O)CCCCC2CCSS2)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.CCC1(OC(=O)NCCOCCOCCOC(=O)CCCCC2CCSS2)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.CCC1(OC(=O)OC(=O)CCCC(=O)OCCOCCOCCOC(=O)CCCCC2CCSS2)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.CCC1(OC(=O)OC(=O)CCCC(=O)OCCOCCOCCOCCCOCCOC(=O)CCCCC2CCSS2)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1
• InChI: InChI=1S/C45H56N2O15S2.C41H50N2O12S2.C40H46N2O13S2.C35H41N3O9S2.C33H37N3O8S2/c1-2-45(35-28-37-41-32(27-31-9-3-5-11-36(31)46-41)29-47(37)42(51)34(35)30-60-43(45)52)62-44(53)61-40(50)14-7-13-39(49)59-25-23-57-21-20-56-19-18-54-16-8-17-55-22-24-58-38(48)12-6-4-10-33-15-26-63-64-33;1-2-41(32-25-34-38-29(24-28-8-3-5-10-33(28)42-38)26-43(34)39(47)31(32)27-54-40(41)48)55-37(46)13-7-12-36(45)53-22-20-51-18-16-49-15-17-50-19-21-52-35(44)11-6-4-9-30-14-23-56-57-30;1-2-40(30-23-32-36-27(22-26-8-3-5-10-31(26)41-36)24-42(32)37(46)29(30)25-53-38(40)47)55-39(48)54-35(45)13-7-12-34(44)52-20-18-50-16-15-49-17-19-51-33(43)11-6-4-9-28-14-21-56-57-28;1-2-35(47-34(42)36-12-13-43-14-15-44-16-17-45-30(39)10-6-4-8-25-11-18-48-49-25)27-20-29-31-24(19-23-7-3-5-9-28(23)37-31)21-38(29)32(40)26(27)22-46-33(35)41;1-2-33(44-32(40)34-12-13-41-14-15-42-28(37)10-6-4-8-23-11-16-45-46-23)25-18-27-29-22(17-21-7-3-5-9-26(21)35-29)19-36(27)30(38)24(25)20-43-31(33)39/h3,5,9,11,27-28,33H,2,4,6-8,10,12-26,29-30H2,1H3;3,5,8,10,24-25,30H,2,4,6-7,9,11-23,26-27H2,1H3;3,5,8,10,22-23,28H,2,4,6-7,9,11-21,24-25H2,1H3;3,5,7,9,19-20,25H,2,4,6,8,10-18,21-22H2,1H3,(H,36,42);3,5,7,9,17-18,23H,2,4,6,8,10-16,19-20H2,1H3,(H,34,40)
• InChIKey: NABHQHHADIUSRP-UHFFFAOYSA-N
• XLogP: 27.81
• TPSA: 835.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 77
• Rotatable Bonds: 99
• Heavy Atoms: 273
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3962.67
LogP ≤ 5	27.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	77

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-O-[2-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethoxy]ethyl] 5-O-(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) pentanedioate;1-O-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethyl] 5-O-[(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)oxycarbonyl] pentanedioate;1-O-[2-[2-[2-[3-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]propoxy]ethoxy]ethoxy]ethyl] 5-O-[(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)oxycarbonyl] pentanedioate;2-[2-[2-[(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)oxycarbonylamino]ethoxy]ethoxy]ethyl 5-(dithiolan-3-yl)pentanoate;2-[2-[(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)oxycarbonylamino]ethoxy]ethyl 5-(dithiolan-3-yl)pentanoate?

The IUPAC name of 1-O-[2-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethoxy]ethyl] 5-O-(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) pentanedioate;1-O-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethyl] 5-O-[(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)oxycarbonyl] pentanedioate;1-O-[2-[2-[2-[3-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]propoxy]ethoxy]ethoxy]ethyl] 5-O-[(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)oxycarbonyl] pentanedioate;2-[2-[2-[(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)oxycarbonylamino]ethoxy]ethoxy]ethyl 5-(dithiolan-3-yl)pentanoate;2-[2-[(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)oxycarbonylamino]ethoxy]ethyl 5-(dithiolan-3-yl)pentanoate (CID 159721254) is 1-O-[2-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethoxy]ethyl] 5-O-(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) pentanedioate;1-O-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethyl] 5-O-[(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)oxycarbonyl] pentanedioate;1-O-[2-[2-[2-[3-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]propoxy]ethoxy]ethoxy]ethyl] 5-O-[(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)oxycarbonyl] pentanedioate;2-[2-[2-[(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)oxycarbonylamino]ethoxy]ethoxy]ethyl 5-(dithiolan-3-yl)pentanoate;2-[2-[(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)oxycarbonylamino]ethoxy]ethyl 5-(dithiolan-3-yl)pentanoate.

What is the SMILES notation for 1-O-[2-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethoxy]ethyl] 5-O-(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) pentanedioate;1-O-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethyl] 5-O-[(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)oxycarbonyl] pentanedioate;1-O-[2-[2-[2-[3-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]propoxy]ethoxy]ethoxy]ethyl] 5-O-[(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)oxycarbonyl] pentanedioate;2-[2-[2-[(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)oxycarbonylamino]ethoxy]ethoxy]ethyl 5-(dithiolan-3-yl)pentanoate;2-[2-[(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)oxycarbonylamino]ethoxy]ethyl 5-(dithiolan-3-yl)pentanoate?

The canonical SMILES for 1-O-[2-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethoxy]ethyl] 5-O-(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) pentanedioate;1-O-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethyl] 5-O-[(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)oxycarbonyl] pentanedioate;1-O-[2-[2-[2-[3-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]propoxy]ethoxy]ethoxy]ethyl] 5-O-[(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)oxycarbonyl] pentanedioate;2-[2-[2-[(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)oxycarbonylamino]ethoxy]ethoxy]ethyl 5-(dithiolan-3-yl)pentanoate;2-[2-[(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)oxycarbonylamino]ethoxy]ethyl 5-(dithiolan-3-yl)pentanoate is CCC1(OC(=O)CCCC(=O)OCCOCCOCCOCCOC(=O)CCCCC2CCSS2)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.CCC1(OC(=O)NCCOCCOC(=O)CCCCC2CCSS2)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.CCC1(OC(=O)NCCOCCOCCOC(=O)CCCCC2CCSS2)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.CCC1(OC(=O)OC(=O)CCCC(=O)OCCOCCOCCOC(=O)CCCCC2CCSS2)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.CCC1(OC(=O)OC(=O)CCCC(=O)OCCOCCOCCOCCCOCCOC(=O)CCCCC2CCSS2)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.

What is the InChIKey of 1-O-[2-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethoxy]ethyl] 5-O-(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) pentanedioate;1-O-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethyl] 5-O-[(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)oxycarbonyl] pentanedioate;1-O-[2-[2-[2-[3-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]propoxy]ethoxy]ethoxy]ethyl] 5-O-[(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)oxycarbonyl] pentanedioate;2-[2-[2-[(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)oxycarbonylamino]ethoxy]ethoxy]ethyl 5-(dithiolan-3-yl)pentanoate;2-[2-[(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)oxycarbonylamino]ethoxy]ethyl 5-(dithiolan-3-yl)pentanoate?

The InChIKey is NABHQHHADIUSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H56N2O15S2.C41H50N2O12S2.C40H46N2O13S2.C35H41N3O9S2.C33H37N3O8S2/c1-2-45(35-28-37-41-32(27-31-9-3-5-11-36(31)46-41)29-47(37)42(51)34(35)30-60-43(45)52)62-44(53)61-40(50)14-7-13-39(49)59-25-23-57-21-20-56-19-18-54-16-8-17-55-22-24-58-38(48)12-6-4-10-33-15-26-63-64-33;1-2-41(32-25-34-38-29(24-28-8-3-5-10-33(28)42-38)26-43(34)39(47)31(32)27-54-40(41)48)55-37(46)13-7-12-36(45)53-22-20-51-18-16-49-15-17-50-19-21-52-35(44)11-6-4-9-30-14-23-56-57-30;1-2-40(30-23-32-36-27(22-26-8-3-5-10-31(26)41-36)24-42(32)37(46)29(30)25-53-38(40)47)55-39(48)54-35(45)13-7-12-34(44)52-20-18-50-16-15-49-17-19-51-33(43)11-6-4-9-28-14-21-56-57-28;1-2-35(47-34(42)36-12-13-43-14-15-44-16-17-45-30(39)10-6-4-8-25-11-18-48-49-25)27-20-29-31-24(19-23-7-3-5-9-28(23)37-31)21-38(29)32(40)26(27)22-46-33(35)41;1-2-33(44-32(40)34-12-13-41-14-15-42-28(37)10-6-4-8-23-11-16-45-46-23)25-18-27-29-22(17-21-7-3-5-9-26(21)35-29)19-36(27)30(38)24(25)20-43-31(33)39/h3,5,9,11,27-28,33H,2,4,6-8,10,12-26,29-30H2,1H3;3,5,8,10,24-25,30H,2,4,6-7,9,11-23,26-27H2,1H3;3,5,8,10,22-23,28H,2,4,6-7,9,11-21,24-25H2,1H3;3,5,7,9,19-20,25H,2,4,6,8,10-18,21-22H2,1H3,(H,36,42);3,5,7,9,17-18,23H,2,4,6,8,10-16,19-20H2,1H3,(H,34,40).

What are the key properties of 1-O-[2-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethoxy]ethyl] 5-O-(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) pentanedioate;1-O-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethyl] 5-O-[(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)oxycarbonyl] pentanedioate;1-O-[2-[2-[2-[3-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]propoxy]ethoxy]ethoxy]ethyl] 5-O-[(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)oxycarbonyl] pentanedioate;2-[2-[2-[(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)oxycarbonylamino]ethoxy]ethoxy]ethyl 5-(dithiolan-3-yl)pentanoate;2-[2-[(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)oxycarbonylamino]ethoxy]ethyl 5-(dithiolan-3-yl)pentanoate?

1-O-[2-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethoxy]ethyl] 5-O-(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) pentanedioate;1-O-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethyl] 5-O-[(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)oxycarbonyl] pentanedioate;1-O-[2-[2-[2-[3-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]propoxy]ethoxy]ethoxy]ethyl] 5-O-[(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)oxycarbonyl] pentanedioate;2-[2-[2-[(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)oxycarbonylamino]ethoxy]ethoxy]ethyl 5-(dithiolan-3-yl)pentanoate;2-[2-[(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)oxycarbonylamino]ethoxy]ethyl 5-(dithiolan-3-yl)pentanoate has a molecular weight of 3962.67 g/mol, XLogP of 27.81, 99 rotatable bonds, 2 hydrogen bond donors, and 77 hydrogen bond acceptors.

Where does this data come from?

All data for 1-O-[2-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethoxy]ethyl] 5-O-(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) pentanedioate;1-O-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethyl] 5-O-[(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)oxycarbonyl] pentanedioate;1-O-[2-[2-[2-[3-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]propoxy]ethoxy]ethoxy]ethyl] 5-O-[(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)oxycarbonyl] pentanedioate;2-[2-[2-[(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)oxycarbonylamino]ethoxy]ethoxy]ethyl 5-(dithiolan-3-yl)pentanoate;2-[2-[(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)oxycarbonylamino]ethoxy]ethyl 5-(dithiolan-3-yl)pentanoate is sourced from PubChem (CID 159721254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).