lithium;(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-8-[1-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]cyclohexyl]oxy-5-oxooctanoic acid;3-(2,5-dioxopyrrol-1-yl)propanoic acid;methane;methyl (2S)-8-[1-(2-aminoethoxy)cyclohexyl]oxy-2-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxooctanoate;methyl (2S)-8-[1-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]cyclohexyl]oxy-2-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxooctanoate;methyl (2S)-2-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxo-8-[1-(4-oxo-4-phenylmethoxybutoxy)cyclohexyl]oxyoctanoate;hydroxide

C174H212F9LiN32O47 — CID 158107164

About lithium;(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-8-[1-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]cyclohexyl]oxy-5-oxooctanoic acid;3-(2,5-dioxopyrrol-1-yl)propanoic acid;methane;methyl (2S)-8-[1-(2-aminoethoxy)cyclohexyl]oxy-2-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxooctanoate;methyl (2S)-8-[1-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]cyclohexyl]oxy-2-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxooctanoate;methyl (2S)-2-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxo-8-[1-(4-oxo-4-phenylmethoxybutoxy)cyclohexyl]oxyoctanoate;hydroxide

lithium;(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-8-[1-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]cyclohexyl]oxy-5-oxooctanoic acid;3-(2,5-dioxopyrrol-1-yl)propanoic acid;methane;methyl (2S)-8-[1-(2-aminoethoxy)cyclohexyl]oxy-2-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxooctanoate;methyl (2S)-8-[1-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]cyclohexyl]oxy-2-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxooctanoate;methyl (2S)-2-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxo-8-[1-(4-oxo-4-phenylmethoxybutoxy)cyclohexyl]oxyoctanoate;hydroxide (PubChem CID 158107164) has the molecular formula C174H212F9LiN32O47 and a molecular weight of 3681.71 g/mol. Its IUPAC name is lithium;(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-8-[1-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]cyclohexyl]oxy-5-oxooctanoic acid;3-(2,5-dioxopyrrol-1-yl)propanoic acid;methane;methyl (2S)-8-[1-(2-aminoethoxy)cyclohexyl]oxy-2-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxooctanoate;methyl (2S)-8-[1-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]cyclohexyl]oxy-2-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxooctanoate;methyl (2S)-2-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxo-8-[1-(4-oxo-4-phenylmethoxybutoxy)cyclohexyl]oxyoctanoate;hydroxide.

Molecular Properties

• Compound Name: lithium;(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-8-[1-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]cyclohexyl]oxy-5-oxooctanoic acid;3-(2,5-dioxopyrrol-1-yl)propanoic acid;methane;methyl (2S)-8-[1-(2-aminoethoxy)cyclohexyl]oxy-2-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxooctanoate;methyl (2S)-8-[1-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]cyclohexyl]oxy-2-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxooctanoate;methyl (2S)-2-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxo-8-[1-(4-oxo-4-phenylmethoxybutoxy)cyclohexyl]oxyoctanoate;hydroxide
• PubChem CID: 158107164
• Molecular Formula: C174H212F9LiN32O47
• Molecular Weight: 3681.71 g/mol
• Exact Mass: 3679.52
• IUPAC Name: lithium;(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-8-[1-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]cyclohexyl]oxy-5-oxooctanoic acid;3-(2,5-dioxopyrrol-1-yl)propanoic acid;methane;methyl (2S)-8-[1-(2-aminoethoxy)cyclohexyl]oxy-2-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxooctanoate;methyl (2S)-8-[1-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]cyclohexyl]oxy-2-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxooctanoate;methyl (2S)-2-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxo-8-[1-(4-oxo-4-phenylmethoxybutoxy)cyclohexyl]oxyoctanoate;hydroxide
• SMILES: C.COC(=O)[C@H](CCC(=O)CCCOC1(OCCCC(=O)CCN2C(=O)C=CC2=O)CCCCC1)NC(=O)c1ccc(N(Cc2cnc3nc(NC(=O)C(C)C)[nH]c(=O)c3n2)C(=O)C(F)(F)F)cc1.COC(=O)[C@H](CCC(=O)CCCOC1(OCCCC(=O)OCc2ccccc2)CCCCC1)NC(=O)c1ccc(N(Cc2cnc3nc(NC(=O)C(C)C)[nH]c(=O)c3n2)C(=O)C(F)(F)F)cc1.COC(=O)[C@H](CCC(=O)CCCOC1(OCCN)CCCCC1)NC(=O)c1ccc(N(Cc2cnc3nc(NC(=O)C(C)C)[nH]c(=O)c3n2)C(=O)C(F)(F)F)cc1.Nc1nc2ncc(CNc3ccc(C(=O)N[C@@H](CCC(=O)CCCOC4(OCCCC(=O)CCN5C(=O)C=CC5=O)CCCCC4)C(=O)O)cc3)nc2c(=O)[nH]1.O=C(O)CCN1C(=O)C=CC1=O.[Li+].[OH-]
• InChI: InChI=1S/C46H54F3N7O11.C45H53F3N8O12.C38H46N8O10.C37H47F3N8O9.C7H7NO4.CH4.Li.H2O/c1-29(2)39(59)54-44-53-38-37(41(61)55-44)51-32(26-50-38)27-56(43(63)46(47,48)49)33-18-16-31(17-19-33)40(60)52-35(42(62)64-3)21-20-34(57)14-10-24-66-45(22-8-5-9-23-45)67-25-11-15-36(58)65-28-30-12-6-4-7-13-30;1-27(2)38(61)53-43-52-37-36(40(63)54-43)50-29(25-49-37)26-56(42(65)45(46,47)48)30-13-11-28(12-14-30)39(62)51-33(41(64)66-3)16-15-31(57)9-7-23-67-44(20-5-4-6-21-44)68-24-8-10-32(58)19-22-55-34(59)17-18-35(55)60;39-37-44-33-32(35(52)45-37)42-26(23-41-33)22-40-25-10-8-24(9-11-25)34(51)43-29(36(53)54)13-12-27(47)6-4-20-55-38(17-2-1-3-18-38)56-21-5-7-28(48)16-19-46-30(49)14-15-31(46)50;1-22(2)30(50)46-35-45-29-28(32(52)47-35)43-24(20-42-29)21-48(34(54)37(38,39)40)25-11-9-23(10-12-25)31(51)44-27(33(53)55-3)14-13-26(49)8-7-18-56-36(57-19-17-41)15-5-4-6-16-36;9-5-1-2-6(10)8(5)4-3-7(11)12;;;/h4,6-7,12-13,16-19,26,29,35H,5,8-11,14-15,20-25,27-28H2,1-3H3,(H,52,60)(H2,50,53,54,55,59,61);11-14,17-18,25,27,33H,4-10,15-16,19-24,26H2,1-3H3,(H,51,62)(H2,49,52,53,54,61,63);8-11,14-15,23,29,40H,1-7,12-13,16-22H2,(H,43,51)(H,53,54)(H3,39,41,44,45,52);9-12,20,22,27H,4-8,13-19,21,41H2,1-3H3,(H,44,51)(H2,42,45,46,47,50,52);1-2H,3-4H2,(H,11,12);1H4;;1H2/q;;;;;;+1;/p-1/t35-;33-;29-;27-;;;;/m0000..../s1
• InChIKey: FPZBSUYHOSVPNB-HRGJENNISA-M
• XLogP: 13.07
• TPSA: 1113.02 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 60
• Rotatable Bonds: 91
• Heavy Atoms: 263
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3681.71
LogP ≤ 5	13.07
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	60

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-8-[1-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]cyclohexyl]oxy-5-oxooctanoic acid;3-(2,5-dioxopyrrol-1-yl)propanoic acid;methane;methyl (2S)-8-[1-(2-aminoethoxy)cyclohexyl]oxy-2-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxooctanoate;methyl (2S)-8-[1-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]cyclohexyl]oxy-2-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxooctanoate;methyl (2S)-2-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxo-8-[1-(4-oxo-4-phenylmethoxybutoxy)cyclohexyl]oxyoctanoate;hydroxide?

The IUPAC name of lithium;(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-8-[1-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]cyclohexyl]oxy-5-oxooctanoic acid;3-(2,5-dioxopyrrol-1-yl)propanoic acid;methane;methyl (2S)-8-[1-(2-aminoethoxy)cyclohexyl]oxy-2-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxooctanoate;methyl (2S)-8-[1-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]cyclohexyl]oxy-2-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxooctanoate;methyl (2S)-2-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxo-8-[1-(4-oxo-4-phenylmethoxybutoxy)cyclohexyl]oxyoctanoate;hydroxide (CID 158107164) is lithium;(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-8-[1-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]cyclohexyl]oxy-5-oxooctanoic acid;3-(2,5-dioxopyrrol-1-yl)propanoic acid;methane;methyl (2S)-8-[1-(2-aminoethoxy)cyclohexyl]oxy-2-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxooctanoate;methyl (2S)-8-[1-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]cyclohexyl]oxy-2-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxooctanoate;methyl (2S)-2-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxo-8-[1-(4-oxo-4-phenylmethoxybutoxy)cyclohexyl]oxyoctanoate;hydroxide.

What is the SMILES notation for lithium;(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-8-[1-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]cyclohexyl]oxy-5-oxooctanoic acid;3-(2,5-dioxopyrrol-1-yl)propanoic acid;methane;methyl (2S)-8-[1-(2-aminoethoxy)cyclohexyl]oxy-2-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxooctanoate;methyl (2S)-8-[1-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]cyclohexyl]oxy-2-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxooctanoate;methyl (2S)-2-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxo-8-[1-(4-oxo-4-phenylmethoxybutoxy)cyclohexyl]oxyoctanoate;hydroxide?

The canonical SMILES for lithium;(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-8-[1-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]cyclohexyl]oxy-5-oxooctanoic acid;3-(2,5-dioxopyrrol-1-yl)propanoic acid;methane;methyl (2S)-8-[1-(2-aminoethoxy)cyclohexyl]oxy-2-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxooctanoate;methyl (2S)-8-[1-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]cyclohexyl]oxy-2-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxooctanoate;methyl (2S)-2-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxo-8-[1-(4-oxo-4-phenylmethoxybutoxy)cyclohexyl]oxyoctanoate;hydroxide is C.COC(=O)[C@H](CCC(=O)CCCOC1(OCCCC(=O)CCN2C(=O)C=CC2=O)CCCCC1)NC(=O)c1ccc(N(Cc2cnc3nc(NC(=O)C(C)C)[nH]c(=O)c3n2)C(=O)C(F)(F)F)cc1.COC(=O)[C@H](CCC(=O)CCCOC1(OCCCC(=O)OCc2ccccc2)CCCCC1)NC(=O)c1ccc(N(Cc2cnc3nc(NC(=O)C(C)C)[nH]c(=O)c3n2)C(=O)C(F)(F)F)cc1.COC(=O)[C@H](CCC(=O)CCCOC1(OCCN)CCCCC1)NC(=O)c1ccc(N(Cc2cnc3nc(NC(=O)C(C)C)[nH]c(=O)c3n2)C(=O)C(F)(F)F)cc1.Nc1nc2ncc(CNc3ccc(C(=O)N[C@@H](CCC(=O)CCCOC4(OCCCC(=O)CCN5C(=O)C=CC5=O)CCCCC4)C(=O)O)cc3)nc2c(=O)[nH]1.O=C(O)CCN1C(=O)C=CC1=O.[Li+].[OH-].

What is the InChIKey of lithium;(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-8-[1-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]cyclohexyl]oxy-5-oxooctanoic acid;3-(2,5-dioxopyrrol-1-yl)propanoic acid;methane;methyl (2S)-8-[1-(2-aminoethoxy)cyclohexyl]oxy-2-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxooctanoate;methyl (2S)-8-[1-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]cyclohexyl]oxy-2-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxooctanoate;methyl (2S)-2-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxo-8-[1-(4-oxo-4-phenylmethoxybutoxy)cyclohexyl]oxyoctanoate;hydroxide?

The InChIKey is FPZBSUYHOSVPNB-HRGJENNISA-M. The full InChI is InChI=1S/C46H54F3N7O11.C45H53F3N8O12.C38H46N8O10.C37H47F3N8O9.C7H7NO4.CH4.Li.H2O/c1-29(2)39(59)54-44-53-38-37(41(61)55-44)51-32(26-50-38)27-56(43(63)46(47,48)49)33-18-16-31(17-19-33)40(60)52-35(42(62)64-3)21-20-34(57)14-10-24-66-45(22-8-5-9-23-45)67-25-11-15-36(58)65-28-30-12-6-4-7-13-30;1-27(2)38(61)53-43-52-37-36(40(63)54-43)50-29(25-49-37)26-56(42(65)45(46,47)48)30-13-11-28(12-14-30)39(62)51-33(41(64)66-3)16-15-31(57)9-7-23-67-44(20-5-4-6-21-44)68-24-8-10-32(58)19-22-55-34(59)17-18-35(55)60;39-37-44-33-32(35(52)45-37)42-26(23-41-33)22-40-25-10-8-24(9-11-25)34(51)43-29(36(53)54)13-12-27(47)6-4-20-55-38(17-2-1-3-18-38)56-21-5-7-28(48)16-19-46-30(49)14-15-31(46)50;1-22(2)30(50)46-35-45-29-28(32(52)47-35)43-24(20-42-29)21-48(34(54)37(38,39)40)25-11-9-23(10-12-25)31(51)44-27(33(53)55-3)14-13-26(49)8-7-18-56-36(57-19-17-41)15-5-4-6-16-36;9-5-1-2-6(10)8(5)4-3-7(11)12;;;/h4,6-7,12-13,16-19,26,29,35H,5,8-11,14-15,20-25,27-28H2,1-3H3,(H,52,60)(H2,50,53,54,55,59,61);11-14,17-18,25,27,33H,4-10,15-16,19-24,26H2,1-3H3,(H,51,62)(H2,49,52,53,54,61,63);8-11,14-15,23,29,40H,1-7,12-13,16-22H2,(H,43,51)(H,53,54)(H3,39,41,44,45,52);9-12,20,22,27H,4-8,13-19,21,41H2,1-3H3,(H,44,51)(H2,42,45,46,47,50,52);1-2H,3-4H2,(H,11,12);1H4;;1H2/q;;;;;;+1;/p-1/t35-;33-;29-;27-;;;;/m0000..../s1.

What are the key properties of lithium;(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-8-[1-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]cyclohexyl]oxy-5-oxooctanoic acid;3-(2,5-dioxopyrrol-1-yl)propanoic acid;methane;methyl (2S)-8-[1-(2-aminoethoxy)cyclohexyl]oxy-2-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxooctanoate;methyl (2S)-8-[1-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]cyclohexyl]oxy-2-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxooctanoate;methyl (2S)-2-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxo-8-[1-(4-oxo-4-phenylmethoxybutoxy)cyclohexyl]oxyoctanoate;hydroxide?

lithium;(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-8-[1-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]cyclohexyl]oxy-5-oxooctanoic acid;3-(2,5-dioxopyrrol-1-yl)propanoic acid;methane;methyl (2S)-8-[1-(2-aminoethoxy)cyclohexyl]oxy-2-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxooctanoate;methyl (2S)-8-[1-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]cyclohexyl]oxy-2-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxooctanoate;methyl (2S)-2-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxo-8-[1-(4-oxo-4-phenylmethoxybutoxy)cyclohexyl]oxyoctanoate;hydroxide has a molecular weight of 3681.71 g/mol, XLogP of 13.07, 91 rotatable bonds, 16 hydrogen bond donors, and 60 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-8-[1-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]cyclohexyl]oxy-5-oxooctanoic acid;3-(2,5-dioxopyrrol-1-yl)propanoic acid;methane;methyl (2S)-8-[1-(2-aminoethoxy)cyclohexyl]oxy-2-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxooctanoate;methyl (2S)-8-[1-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]cyclohexyl]oxy-2-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxooctanoate;methyl (2S)-2-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxo-8-[1-(4-oxo-4-phenylmethoxybutoxy)cyclohexyl]oxyoctanoate;hydroxide is sourced from PubChem (CID 158107164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).