(2S,4S)-N-[4-[2-[2-[2-[4-[2,3-bis(methylsulfanylmethyl)quinoxalin-6-yl]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]-2-oxobutyl]-2,5,12-trihydroxy-7-methoxy-4-[[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl]oxy]-6,11-dioxo-3,4-dihydro-1H-tetracene-2-carboxamide;(2S,4S)-2,5,12-trihydroxy-7-methoxy-4-[[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl]oxy]-6,11-dioxo-N-[2-oxo-4-[2-[2-[2-[3-oxo-3-(4-propanoylpiperidin-1-yl)propoxy]ethoxy]ethoxy]ethoxy]butyl]-3,4-dihydro-1H-tetracene-2-carboxamide;(2S,4S)-2,5,12-trihydroxy-7-methoxy-4-[[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl]oxy]-6,11-dioxo-N-[[4-[2-oxo-3-(4-propanoylpiperidin-1-yl)propyl]phenyl]methoxy]-3,4-dihydro-1H-tetracene-2-carboxamide

C158H196N10O52S2 — CID 159893877

About (2S,4S)-N-[4-[2-[2-[2-[4-[2,3-bis(methylsulfanylmethyl)quinoxalin-6-yl]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]-2-oxobutyl]-2,5,12-trihydroxy-7-methoxy-4-[[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl]oxy]-6,11-dioxo-3,4-dihydro-1H-tetracene-2-carboxamide;(2S,4S)-2,5,12-trihydroxy-7-methoxy-4-[[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl]oxy]-6,11-dioxo-N-[2-oxo-4-[2-[2-[2-[3-oxo-3-(4-propanoylpiperidin-1-yl)propoxy]ethoxy]ethoxy]ethoxy]butyl]-3,4-dihydro-1H-tetracene-2-carboxamide;(2S,4S)-2,5,12-trihydroxy-7-methoxy-4-[[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl]oxy]-6,11-dioxo-N-[[4-[2-oxo-3-(4-propanoylpiperidin-1-yl)propyl]phenyl]methoxy]-3,4-dihydro-1H-tetracene-2-carboxamide

(2S,4S)-N-[4-[2-[2-[2-[4-[2,3-bis(methylsulfanylmethyl)quinoxalin-6-yl]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]-2-oxobutyl]-2,5,12-trihydroxy-7-methoxy-4-[[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl]oxy]-6,11-dioxo-3,4-dihydro-1H-tetracene-2-carboxamide;(2S,4S)-2,5,12-trihydroxy-7-methoxy-4-[[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl]oxy]-6,11-dioxo-N-[2-oxo-4-[2-[2-[2-[3-oxo-3-(4-propanoylpiperidin-1-yl)propoxy]ethoxy]ethoxy]ethoxy]butyl]-3,4-dihydro-1H-tetracene-2-carboxamide;(2S,4S)-2,5,12-trihydroxy-7-methoxy-4-[[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl]oxy]-6,11-dioxo-N-[[4-[2-oxo-3-(4-propanoylpiperidin-1-yl)propyl]phenyl]methoxy]-3,4-dihydro-1H-tetracene-2-carboxamide (PubChem CID 159893877) has the molecular formula C158H196N10O52S2 and a molecular weight of 3131.46 g/mol. Its IUPAC name is (2S,4S)-N-[4-[2-[2-[2-[4-[2,3-bis(methylsulfanylmethyl)quinoxalin-6-yl]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]-2-oxobutyl]-2,5,12-trihydroxy-7-methoxy-4-[[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl]oxy]-6,11-dioxo-3,4-dihydro-1H-tetracene-2-carboxamide;(2S,4S)-2,5,12-trihydroxy-7-methoxy-4-[[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl]oxy]-6,11-dioxo-N-[2-oxo-4-[2-[2-[2-[3-oxo-3-(4-propanoylpiperidin-1-yl)propoxy]ethoxy]ethoxy]ethoxy]butyl]-3,4-dihydro-1H-tetracene-2-carboxamide;(2S,4S)-2,5,12-trihydroxy-7-methoxy-4-[[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl]oxy]-6,11-dioxo-N-[[4-[2-oxo-3-(4-propanoylpiperidin-1-yl)propyl]phenyl]methoxy]-3,4-dihydro-1H-tetracene-2-carboxamide.

Molecular Properties

• Compound Name: (2S,4S)-N-[4-[2-[2-[2-[4-[2,3-bis(methylsulfanylmethyl)quinoxalin-6-yl]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]-2-oxobutyl]-2,5,12-trihydroxy-7-methoxy-4-[[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl]oxy]-6,11-dioxo-3,4-dihydro-1H-tetracene-2-carboxamide;(2S,4S)-2,5,12-trihydroxy-7-methoxy-4-[[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl]oxy]-6,11-dioxo-N-[2-oxo-4-[2-[2-[2-[3-oxo-3-(4-propanoylpiperidin-1-yl)propoxy]ethoxy]ethoxy]ethoxy]butyl]-3,4-dihydro-1H-tetracene-2-carboxamide;(2S,4S)-2,5,12-trihydroxy-7-methoxy-4-[[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl]oxy]-6,11-dioxo-N-[[4-[2-oxo-3-(4-propanoylpiperidin-1-yl)propyl]phenyl]methoxy]-3,4-dihydro-1H-tetracene-2-carboxamide
• PubChem CID: 159893877
• Molecular Formula: C158H196N10O52S2
• Molecular Weight: 3131.46 g/mol
• Exact Mass: 3129.24
• IUPAC Name: (2S,4S)-N-[4-[2-[2-[2-[4-[2,3-bis(methylsulfanylmethyl)quinoxalin-6-yl]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]-2-oxobutyl]-2,5,12-trihydroxy-7-methoxy-4-[[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl]oxy]-6,11-dioxo-3,4-dihydro-1H-tetracene-2-carboxamide;(2S,4S)-2,5,12-trihydroxy-7-methoxy-4-[[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl]oxy]-6,11-dioxo-N-[2-oxo-4-[2-[2-[2-[3-oxo-3-(4-propanoylpiperidin-1-yl)propoxy]ethoxy]ethoxy]ethoxy]butyl]-3,4-dihydro-1H-tetracene-2-carboxamide;(2S,4S)-2,5,12-trihydroxy-7-methoxy-4-[[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl]oxy]-6,11-dioxo-N-[[4-[2-oxo-3-(4-propanoylpiperidin-1-yl)propyl]phenyl]methoxy]-3,4-dihydro-1H-tetracene-2-carboxamide
• SMILES: CCC(=O)C1CCN(C(=O)CCOCCOCCOCCOCCC(=O)CNC(=O)[C@]2(O)Cc3c(O)c4c(c(O)c3[C@@H](O[C@H]3C[C@H]5[C@H](O[C@@H]6[C@@H](OC)OCCN65)[C@H](C)O3)C2)C(=O)c2c(OC)cccc2C4=O)CC1.CCC(=O)C1CCN(CC(=O)Cc2ccc(CONC(=O)[C@]3(O)Cc4c(O)c5c(c(O)c4[C@@H](O[C@H]4C[C@H]6[C@H](O[C@@H]7[C@@H](OC)OCCN76)[C@H](C)O4)C3)C(=O)c3c(OC)cccc3C5=O)cc2)CC1.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)NCC(=O)CCOCCOCCOCCOCCCC(=O)c1ccc2nc(CSC)c(CSC)nc2c1)C[C@@H]3O[C@H]1C[C@H]2[C@H](O[C@@H]3[C@@H](OC)OCCN32)[C@H](C)O1
• InChI: InChI=1S/C57H70N4O18S2.C52H69N3O19.C49H57N3O15/c1-31-53-40(61-14-17-76-55(71-3)54(61)79-53)25-44(77-31)78-43-27-57(69,26-35-46(43)52(67)48-47(50(35)65)49(64)34-8-6-10-42(70-2)45(34)51(48)66)56(68)58-28-33(62)13-16-73-19-21-75-23-22-74-20-18-72-15-7-9-41(63)32-11-12-36-37(24-32)60-39(30-81-5)38(59-36)29-80-4;1-5-35(57)30-9-13-54(14-10-30)38(58)12-17-68-20-22-70-24-23-69-21-19-67-16-11-31(56)28-53-51(63)52(64)26-33-41(47(62)43-42(45(33)60)44(59)32-7-6-8-36(65-3)40(32)46(43)61)37(27-52)73-39-25-34-48(29(2)72-39)74-49-50(66-4)71-18-15-55(34)49;1-5-33(54)28-13-15-51(16-14-28)23-29(53)19-26-9-11-27(12-10-26)24-64-50-48(59)49(60)21-31-38(44(58)40-39(42(31)56)41(55)30-7-6-8-34(61-3)37(30)43(40)57)35(22-49)66-36-20-32-45(25(2)65-36)67-46-47(62-4)63-18-17-52(32)46/h6,8,10-12,24,31,40,43-44,53-55,65,67,69H,7,9,13-23,25-30H2,1-5H3,(H,58,68);6-8,29-30,34,37,39,48-50,60,62,64H,5,9-28H2,1-4H3,(H,53,63);6-12,25,28,32,35-36,45-47,56,58,60H,5,13-24H2,1-4H3,(H,50,59)/t31-,40-,43-,44-,53+,54+,55-,57-;29-,34-,37-,39-,48+,49+,50-,52-;25-,32-,35-,36-,45+,46+,47-,49-/m000/s1
• InChIKey: NVCCRLSWFXIYTK-BRQYAZHESA-N
• XLogP: 9.72
• TPSA: 782.47 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 60
• Rotatable Bonds: 66
• Heavy Atoms: 222
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3131.46
LogP ≤ 5	9.72
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	60

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[4-[2-[2-[2-[4-[2,3-bis(methylsulfanylmethyl)quinoxalin-6-yl]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]-2-oxobutyl]-2,5,12-trihydroxy-7-methoxy-4-[[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl]oxy]-6,11-dioxo-3,4-dihydro-1H-tetracene-2-carboxamide;(2S,4S)-2,5,12-trihydroxy-7-methoxy-4-[[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl]oxy]-6,11-dioxo-N-[2-oxo-4-[2-[2-[2-[3-oxo-3-(4-propanoylpiperidin-1-yl)propoxy]ethoxy]ethoxy]ethoxy]butyl]-3,4-dihydro-1H-tetracene-2-carboxamide;(2S,4S)-2,5,12-trihydroxy-7-methoxy-4-[[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl]oxy]-6,11-dioxo-N-[[4-[2-oxo-3-(4-propanoylpiperidin-1-yl)propyl]phenyl]methoxy]-3,4-dihydro-1H-tetracene-2-carboxamide?

The IUPAC name of (2S,4S)-N-[4-[2-[2-[2-[4-[2,3-bis(methylsulfanylmethyl)quinoxalin-6-yl]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]-2-oxobutyl]-2,5,12-trihydroxy-7-methoxy-4-[[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl]oxy]-6,11-dioxo-3,4-dihydro-1H-tetracene-2-carboxamide;(2S,4S)-2,5,12-trihydroxy-7-methoxy-4-[[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl]oxy]-6,11-dioxo-N-[2-oxo-4-[2-[2-[2-[3-oxo-3-(4-propanoylpiperidin-1-yl)propoxy]ethoxy]ethoxy]ethoxy]butyl]-3,4-dihydro-1H-tetracene-2-carboxamide;(2S,4S)-2,5,12-trihydroxy-7-methoxy-4-[[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl]oxy]-6,11-dioxo-N-[[4-[2-oxo-3-(4-propanoylpiperidin-1-yl)propyl]phenyl]methoxy]-3,4-dihydro-1H-tetracene-2-carboxamide (CID 159893877) is (2S,4S)-N-[4-[2-[2-[2-[4-[2,3-bis(methylsulfanylmethyl)quinoxalin-6-yl]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]-2-oxobutyl]-2,5,12-trihydroxy-7-methoxy-4-[[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl]oxy]-6,11-dioxo-3,4-dihydro-1H-tetracene-2-carboxamide;(2S,4S)-2,5,12-trihydroxy-7-methoxy-4-[[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl]oxy]-6,11-dioxo-N-[2-oxo-4-[2-[2-[2-[3-oxo-3-(4-propanoylpiperidin-1-yl)propoxy]ethoxy]ethoxy]ethoxy]butyl]-3,4-dihydro-1H-tetracene-2-carboxamide;(2S,4S)-2,5,12-trihydroxy-7-methoxy-4-[[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl]oxy]-6,11-dioxo-N-[[4-[2-oxo-3-(4-propanoylpiperidin-1-yl)propyl]phenyl]methoxy]-3,4-dihydro-1H-tetracene-2-carboxamide.

What is the SMILES notation for (2S,4S)-N-[4-[2-[2-[2-[4-[2,3-bis(methylsulfanylmethyl)quinoxalin-6-yl]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]-2-oxobutyl]-2,5,12-trihydroxy-7-methoxy-4-[[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl]oxy]-6,11-dioxo-3,4-dihydro-1H-tetracene-2-carboxamide;(2S,4S)-2,5,12-trihydroxy-7-methoxy-4-[[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl]oxy]-6,11-dioxo-N-[2-oxo-4-[2-[2-[2-[3-oxo-3-(4-propanoylpiperidin-1-yl)propoxy]ethoxy]ethoxy]ethoxy]butyl]-3,4-dihydro-1H-tetracene-2-carboxamide;(2S,4S)-2,5,12-trihydroxy-7-methoxy-4-[[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl]oxy]-6,11-dioxo-N-[[4-[2-oxo-3-(4-propanoylpiperidin-1-yl)propyl]phenyl]methoxy]-3,4-dihydro-1H-tetracene-2-carboxamide?

The canonical SMILES for (2S,4S)-N-[4-[2-[2-[2-[4-[2,3-bis(methylsulfanylmethyl)quinoxalin-6-yl]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]-2-oxobutyl]-2,5,12-trihydroxy-7-methoxy-4-[[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl]oxy]-6,11-dioxo-3,4-dihydro-1H-tetracene-2-carboxamide;(2S,4S)-2,5,12-trihydroxy-7-methoxy-4-[[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl]oxy]-6,11-dioxo-N-[2-oxo-4-[2-[2-[2-[3-oxo-3-(4-propanoylpiperidin-1-yl)propoxy]ethoxy]ethoxy]ethoxy]butyl]-3,4-dihydro-1H-tetracene-2-carboxamide;(2S,4S)-2,5,12-trihydroxy-7-methoxy-4-[[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl]oxy]-6,11-dioxo-N-[[4-[2-oxo-3-(4-propanoylpiperidin-1-yl)propyl]phenyl]methoxy]-3,4-dihydro-1H-tetracene-2-carboxamide is CCC(=O)C1CCN(C(=O)CCOCCOCCOCCOCCC(=O)CNC(=O)[C@]2(O)Cc3c(O)c4c(c(O)c3[C@@H](O[C@H]3C[C@H]5[C@H](O[C@@H]6[C@@H](OC)OCCN65)[C@H](C)O3)C2)C(=O)c2c(OC)cccc2C4=O)CC1.CCC(=O)C1CCN(CC(=O)Cc2ccc(CONC(=O)[C@]3(O)Cc4c(O)c5c(c(O)c4[C@@H](O[C@H]4C[C@H]6[C@H](O[C@@H]7[C@@H](OC)OCCN76)[C@H](C)O4)C3)C(=O)c3c(OC)cccc3C5=O)cc2)CC1.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)NCC(=O)CCOCCOCCOCCOCCCC(=O)c1ccc2nc(CSC)c(CSC)nc2c1)C[C@@H]3O[C@H]1C[C@H]2[C@H](O[C@@H]3[C@@H](OC)OCCN32)[C@H](C)O1.

What is the InChIKey of (2S,4S)-N-[4-[2-[2-[2-[4-[2,3-bis(methylsulfanylmethyl)quinoxalin-6-yl]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]-2-oxobutyl]-2,5,12-trihydroxy-7-methoxy-4-[[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl]oxy]-6,11-dioxo-3,4-dihydro-1H-tetracene-2-carboxamide;(2S,4S)-2,5,12-trihydroxy-7-methoxy-4-[[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl]oxy]-6,11-dioxo-N-[2-oxo-4-[2-[2-[2-[3-oxo-3-(4-propanoylpiperidin-1-yl)propoxy]ethoxy]ethoxy]ethoxy]butyl]-3,4-dihydro-1H-tetracene-2-carboxamide;(2S,4S)-2,5,12-trihydroxy-7-methoxy-4-[[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl]oxy]-6,11-dioxo-N-[[4-[2-oxo-3-(4-propanoylpiperidin-1-yl)propyl]phenyl]methoxy]-3,4-dihydro-1H-tetracene-2-carboxamide?

The InChIKey is NVCCRLSWFXIYTK-BRQYAZHESA-N. The full InChI is InChI=1S/C57H70N4O18S2.C52H69N3O19.C49H57N3O15/c1-31-53-40(61-14-17-76-55(71-3)54(61)79-53)25-44(77-31)78-43-27-57(69,26-35-46(43)52(67)48-47(50(35)65)49(64)34-8-6-10-42(70-2)45(34)51(48)66)56(68)58-28-33(62)13-16-73-19-21-75-23-22-74-20-18-72-15-7-9-41(63)32-11-12-36-37(24-32)60-39(30-81-5)38(59-36)29-80-4;1-5-35(57)30-9-13-54(14-10-30)38(58)12-17-68-20-22-70-24-23-69-21-19-67-16-11-31(56)28-53-51(63)52(64)26-33-41(47(62)43-42(45(33)60)44(59)32-7-6-8-36(65-3)40(32)46(43)61)37(27-52)73-39-25-34-48(29(2)72-39)74-49-50(66-4)71-18-15-55(34)49;1-5-33(54)28-13-15-51(16-14-28)23-29(53)19-26-9-11-27(12-10-26)24-64-50-48(59)49(60)21-31-38(44(58)40-39(42(31)56)41(55)30-7-6-8-34(61-3)37(30)43(40)57)35(22-49)66-36-20-32-45(25(2)65-36)67-46-47(62-4)63-18-17-52(32)46/h6,8,10-12,24,31,40,43-44,53-55,65,67,69H,7,9,13-23,25-30H2,1-5H3,(H,58,68);6-8,29-30,34,37,39,48-50,60,62,64H,5,9-28H2,1-4H3,(H,53,63);6-12,25,28,32,35-36,45-47,56,58,60H,5,13-24H2,1-4H3,(H,50,59)/t31-,40-,43-,44-,53+,54+,55-,57-;29-,34-,37-,39-,48+,49+,50-,52-;25-,32-,35-,36-,45+,46+,47-,49-/m000/s1.

What are the key properties of (2S,4S)-N-[4-[2-[2-[2-[4-[2,3-bis(methylsulfanylmethyl)quinoxalin-6-yl]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]-2-oxobutyl]-2,5,12-trihydroxy-7-methoxy-4-[[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl]oxy]-6,11-dioxo-3,4-dihydro-1H-tetracene-2-carboxamide;(2S,4S)-2,5,12-trihydroxy-7-methoxy-4-[[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl]oxy]-6,11-dioxo-N-[2-oxo-4-[2-[2-[2-[3-oxo-3-(4-propanoylpiperidin-1-yl)propoxy]ethoxy]ethoxy]ethoxy]butyl]-3,4-dihydro-1H-tetracene-2-carboxamide;(2S,4S)-2,5,12-trihydroxy-7-methoxy-4-[[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl]oxy]-6,11-dioxo-N-[[4-[2-oxo-3-(4-propanoylpiperidin-1-yl)propyl]phenyl]methoxy]-3,4-dihydro-1H-tetracene-2-carboxamide?

(2S,4S)-N-[4-[2-[2-[2-[4-[2,3-bis(methylsulfanylmethyl)quinoxalin-6-yl]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]-2-oxobutyl]-2,5,12-trihydroxy-7-methoxy-4-[[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl]oxy]-6,11-dioxo-3,4-dihydro-1H-tetracene-2-carboxamide;(2S,4S)-2,5,12-trihydroxy-7-methoxy-4-[[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl]oxy]-6,11-dioxo-N-[2-oxo-4-[2-[2-[2-[3-oxo-3-(4-propanoylpiperidin-1-yl)propoxy]ethoxy]ethoxy]ethoxy]butyl]-3,4-dihydro-1H-tetracene-2-carboxamide;(2S,4S)-2,5,12-trihydroxy-7-methoxy-4-[[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl]oxy]-6,11-dioxo-N-[[4-[2-oxo-3-(4-propanoylpiperidin-1-yl)propyl]phenyl]methoxy]-3,4-dihydro-1H-tetracene-2-carboxamide has a molecular weight of 3131.46 g/mol, XLogP of 9.72, 66 rotatable bonds, 12 hydrogen bond donors, and 60 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4S)-N-[4-[2-[2-[2-[4-[2,3-bis(methylsulfanylmethyl)quinoxalin-6-yl]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]-2-oxobutyl]-2,5,12-trihydroxy-7-methoxy-4-[[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl]oxy]-6,11-dioxo-3,4-dihydro-1H-tetracene-2-carboxamide;(2S,4S)-2,5,12-trihydroxy-7-methoxy-4-[[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl]oxy]-6,11-dioxo-N-[2-oxo-4-[2-[2-[2-[3-oxo-3-(4-propanoylpiperidin-1-yl)propoxy]ethoxy]ethoxy]ethoxy]butyl]-3,4-dihydro-1H-tetracene-2-carboxamide;(2S,4S)-2,5,12-trihydroxy-7-methoxy-4-[[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl]oxy]-6,11-dioxo-N-[[4-[2-oxo-3-(4-propanoylpiperidin-1-yl)propyl]phenyl]methoxy]-3,4-dihydro-1H-tetracene-2-carboxamide is sourced from PubChem (CID 159893877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).