lithium;2-[1-(2-aminoethoxy)cyclopentyl]oxyethanamine;benzyl N-[2-[1-(2-acetamidoethoxy)cyclopentyl]oxyethyl]carbamate;benzyl N-[2-[1-(2-aminoethoxy)cyclopentyl]oxyethyl]carbamate;3-(2,5-dioxopyrrol-1-yl)propanoic acid;methane;(4S)-5-methoxy-4-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxopentanoic acid;methyl (2S)-8-[1-(2-aminoethoxy)cyclopentyl]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)cyclopentyl]oxyoctanoate;hydroxide

C161H213F9LiN29O44 — CID 157241089

IUPAClithium;2-[1-(2-aminoethoxy)cyclopentyl]oxyethanamine;benzyl N-[2-[1-(2-acetamidoethoxy)cyclopentyl]oxyethyl]carbamate;benzyl N-[2-[1-(2-aminoethoxy)cyclopentyl]oxyethyl]carbamate;3-(2,5-dioxopyrrol-1-yl)propanoic acid;methane;(4S)-5-methoxy-4-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxopentanoic acid;methyl (2S)-8-[1-(2-aminoethoxy)cyclopentyl]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)cyclopentyl]oxyoctanoate;hydroxide
SMILESC.C.CC(=O)NCCOC1(OCCNC(=O)OCc2ccccc2)CCCC1.COC(=O)[C@H](CCC(=O)CCCOC1(OCCCC(=O)OCc2ccccc2)CCCC1)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)CCCC1)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)O)NC(=O)c1ccc(N(Cc2cnc3nc(NC(=O)C(C)C)[nH]c(=O)c3n2)C(=O)C(F)(F)F)cc1.NCCOC1(OCCN)CCCC1.NCCOC1(OCCNC(=O)OCc2ccccc2)CCCC1.O=C(O)CCN1C(=O)C=CC1=O.[Li+].[OH-]
InChIInChI=1S/C45H52F3N7O11.C36H45F3N8O9.C26H26F3N7O8.C19H28N2O5.C17H26N2O4.C9H20N2O2.C7H7NO4.2CH4.Li.H2O/c1-28(2)38(58)53-43-52-37-36(40(60)54-43)50-31(25-49-37)26-55(42(62)45(46,47)48)32-17-15-30(16-18-32)39(59)51-34(41(61)63-3)20-19-33(56)13-9-23-65-44(21-7-8-22-44)66-24-10-14-35(57)64-27-29-11-5-4-6-12-29;1-21(2)29(49)45-34-44-28-27(31(51)46-34)42-23(19-41-28)20-47(33(53)36(37,38)39)24-10-8-22(9-11-24)30(50)43-26(32(52)54-3)13-12-25(48)7-6-17-55-35(56-18-16-40)14-4-5-15-35;1-12(2)20(39)34-25-33-19-18(22(41)35-25)31-14(10-30-19)11-36(24(43)26(27,28)29)15-6-4-13(5-7-15)21(40)32-16(23(42)44-3)8-9-17(37)38;1-16(22)20-11-13-25-19(9-5-6-10-19)26-14-12-21-18(23)24-15-17-7-3-2-4-8-17;18-10-12-22-17(8-4-5-9-17)23-13-11-19-16(20)21-14-15-6-2-1-3-7-15;10-5-7-12-9(13-8-6-11)3-1-2-4-9;9-5-1-2-6(10)8(5)4-3-7(11)12;;;;/h4-6,11-12,15-18,25,28,34H,7-10,13-14,19-24,26-27H2,1-3H3,(H,51,59)(H2,49,52,53,54,58,60);8-11,19,21,26H,4-7,12-18,20,40H2,1-3H3,(H,43,50)(H2,41,44,45,46,49,51);4-7,10,12,16H,8-9,11H2,1-3H3,(H,32,40)(H,37,38)(H2,30,33,34,35,39,41);2-4,7-8H,5-6,9-15H2,1H3,(H,20,22)(H,21,23);1-3,6-7H,4-5,8-14,18H2,(H,19,20);1-8,10-11H2;1-2H,3-4H2,(H,11,12);2*1H4;;1H2/q;;;;;;;;;+1;/p-1/t34-;26-;16-;;;;;;;;/m000......../s1
InChIKeyAVFLPXHGYRBMNQ-LFZXRIOLSA-M
MW3436.56 g/mol
LogP12.46
Rot. Bonds81

About lithium;2-[1-(2-aminoethoxy)cyclopentyl]oxyethanamine;benzyl N-[2-[1-(2-acetamidoethoxy)cyclopentyl]oxyethyl]carbamate;benzyl N-[2-[1-(2-aminoethoxy)cyclopentyl]oxyethyl]carbamate;3-(2,5-dioxopyrrol-1-yl)propanoic acid;methane;(4S)-5-methoxy-4-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxopentanoic acid;methyl (2S)-8-[1-(2-aminoethoxy)cyclopentyl]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)cyclopentyl]oxyoctanoate;hydroxide

lithium;2-[1-(2-aminoethoxy)cyclopentyl]oxyethanamine;benzyl N-[2-[1-(2-acetamidoethoxy)cyclopentyl]oxyethyl]carbamate;benzyl N-[2-[1-(2-aminoethoxy)cyclopentyl]oxyethyl]carbamate;3-(2,5-dioxopyrrol-1-yl)propanoic acid;methane;(4S)-5-methoxy-4-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxopentanoic acid;methyl (2S)-8-[1-(2-aminoethoxy)cyclopentyl]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)cyclopentyl]oxyoctanoate;hydroxide (PubChem CID 157241089) has the molecular formula C161H213F9LiN29O44 and a molecular weight of 3436.56 g/mol. Its IUPAC name is lithium;2-[1-(2-aminoethoxy)cyclopentyl]oxyethanamine;benzyl N-[2-[1-(2-acetamidoethoxy)cyclopentyl]oxyethyl]carbamate;benzyl N-[2-[1-(2-aminoethoxy)cyclopentyl]oxyethyl]carbamate;3-(2,5-dioxopyrrol-1-yl)propanoic acid;methane;(4S)-5-methoxy-4-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxopentanoic acid;methyl (2S)-8-[1-(2-aminoethoxy)cyclopentyl]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)cyclopentyl]oxyoctanoate;hydroxide.

Molecular Properties

Compound Namelithium;2-[1-(2-aminoethoxy)cyclopentyl]oxyethanamine;benzyl N-[2-[1-(2-acetamidoethoxy)cyclopentyl]oxyethyl]carbamate;benzyl N-[2-[1-(2-aminoethoxy)cyclopentyl]oxyethyl]carbamate;3-(2,5-dioxopyrrol-1-yl)propanoic acid;methane;(4S)-5-methoxy-4-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxopentanoic acid;methyl (2S)-8-[1-(2-aminoethoxy)cyclopentyl]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)cyclopentyl]oxyoctanoate;hydroxide
PubChem CID157241089
Molecular FormulaC161H213F9LiN29O44
Molecular Weight3436.56 g/mol
Exact Mass3434.53
IUPAC Namelithium;2-[1-(2-aminoethoxy)cyclopentyl]oxyethanamine;benzyl N-[2-[1-(2-acetamidoethoxy)cyclopentyl]oxyethyl]carbamate;benzyl N-[2-[1-(2-aminoethoxy)cyclopentyl]oxyethyl]carbamate;3-(2,5-dioxopyrrol-1-yl)propanoic acid;methane;(4S)-5-methoxy-4-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxopentanoic acid;methyl (2S)-8-[1-(2-aminoethoxy)cyclopentyl]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)cyclopentyl]oxyoctanoate;hydroxide
SMILESC.C.CC(=O)NCCOC1(OCCNC(=O)OCc2ccccc2)CCCC1.COC(=O)[C@H](CCC(=O)CCCOC1(OCCCC(=O)OCc2ccccc2)CCCC1)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)CCCC1)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)O)NC(=O)c1ccc(N(Cc2cnc3nc(NC(=O)C(C)C)[nH]c(=O)c3n2)C(=O)C(F)(F)F)cc1.NCCOC1(OCCN)CCCC1.NCCOC1(OCCNC(=O)OCc2ccccc2)CCCC1.O=C(O)CCN1C(=O)C=CC1=O.[Li+].[OH-]
InChIInChI=1S/C45H52F3N7O11.C36H45F3N8O9.C26H26F3N7O8.C19H28N2O5.C17H26N2O4.C9H20N2O2.C7H7NO4.2CH4.Li.H2O/c1-28(2)38(58)53-43-52-37-36(40(60)54-43)50-31(25-49-37)26-55(42(62)45(46,47)48)32-17-15-30(16-18-32)39(59)51-34(41(61)63-3)20-19-33(56)13-9-23-65-44(21-7-8-22-44)66-24-10-14-35(57)64-27-29-11-5-4-6-12-29;1-21(2)29(49)45-34-44-28-27(31(51)46-34)42-23(19-41-28)20-47(33(53)36(37,38)39)24-10-8-22(9-11-24)30(50)43-26(32(52)54-3)13-12-25(48)7-6-17-55-35(56-18-16-40)14-4-5-15-35;1-12(2)20(39)34-25-33-19-18(22(41)35-25)31-14(10-30-19)11-36(24(43)26(27,28)29)15-6-4-13(5-7-15)21(40)32-16(23(42)44-3)8-9-17(37)38;1-16(22)20-11-13-25-19(9-5-6-10-19)26-14-12-21-18(23)24-15-17-7-3-2-4-8-17;18-10-12-22-17(8-4-5-9-17)23-13-11-19-16(20)21-14-15-6-2-1-3-7-15;10-5-7-12-9(13-8-6-11)3-1-2-4-9;9-5-1-2-6(10)8(5)4-3-7(11)12;;;;/h4-6,11-12,15-18,25,28,34H,7-10,13-14,19-24,26-27H2,1-3H3,(H,51,59)(H2,49,52,53,54,58,60);8-11,19,21,26H,4-7,12-18,20,40H2,1-3H3,(H,43,50)(H2,41,44,45,46,49,51);4-7,10,12,16H,8-9,11H2,1-3H3,(H,32,40)(H,37,38)(H2,30,33,34,35,39,41);2-4,7-8H,5-6,9-15H2,1H3,(H,20,22)(H,21,23);1-3,6-7H,4-5,8-14,18H2,(H,19,20);1-8,10-11H2;1-2H,3-4H2,(H,11,12);2*1H4;;1H2/q;;;;;;;;;+1;/p-1/t34-;26-;16-;;;;;;;;/m000......../s1
InChIKeyAVFLPXHGYRBMNQ-LFZXRIOLSA-M
XLogP12.46
TPSA1033.58 Ų
H-Bond Donors18
H-Bond Acceptors55
Rotatable Bonds81
Heavy Atoms244
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003436.56
LogP ≤ 512.46
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1055

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'}

Analyze lithium;2-[1-(2-aminoethoxy)cyclopentyl]oxyethanamine;benzyl N-[2-[1-(2-acetamidoethoxy)cyclopentyl]oxyethyl]carbamate;benzyl N-[2-[1-(2-aminoethoxy)cyclopentyl]oxyethyl]carbamate;3-(2,5-dioxopyrrol-1-yl)propanoic acid;methane;(4S)-5-methoxy-4-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxopentanoic acid;methyl (2S)-8-[1-(2-aminoethoxy)cyclopentyl]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)cyclopentyl]oxyoctanoate;hydroxide with MolForge

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Launch Full Analysis

Related Compounds

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)cyclopentyl]oxyoctanoate
CID 135967049
methyl (2S)-2-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxo-8-[2-(4-oxo-4-phenylmethoxybutoxy)propan-2-yloxy]octanoate
CID 135967055
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
CID 135967062
methyl (2S)-8-[3,3-dimethyl-2-(4-oxo-4-phenylmethoxybutoxy)butan-2-yl]oxy-2-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxooctanoate
CID 135967071
methyl (2S)-2-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxo-5-[2-[1-[2-(phenylmethoxycarbonylamino)ethoxy]cyclopentyl]oxyethylamino]pentanoate
CID 136488143
methyl (2S)-2-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxo-5-[2-[1-[2-(phenylmethoxycarbonylamino)ethoxy]cyclohexyl]oxyethylamino]pentanoate
CID 136488147
benzyl N-[2-[1-[2-[[(4R)-4-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]pentanoyl]amino]ethoxy]cyclopentyl]oxyethyl]carbamate
CID 137281527
benzyl N-[2-[1-[2-[[(4R)-4-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]pentanoyl]amino]ethoxy]cyclohexyl]oxyethyl]carbamate
CID 143878039
lithium;3-[2-(2-butoxyethoxy)ethoxy]propan-1-amine;(4S)-5-methoxy-4-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxopentanoic acid;methyl (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-9-[2-[2-(3-azidopropoxy)ethoxy]ethoxy]-5-oxononanoate;methyl (2S)-9-[2-[2-(3-azidopropoxy)ethoxy]ethoxy]-2-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxononanoate;hydroxide
CID 157454498
lithium;3-[2-[2-(3-azidopropoxy)ethoxy]ethoxy]propan-1-amine;(4S)-5-methoxy-4-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxopentanoic acid;methyl (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-9-[2-[2-(3-azidopropoxy)ethoxy]ethoxy]-5-oxononanoate;methyl (2S)-9-[2-[2-(3-azidopropoxy)ethoxy]ethoxy]-2-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxononanoate;hydroxide
CID 157801631
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;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;hydroxide
CID 157943680
5-O-tert-butyl 1-O-methyl (2S)-2-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]pentanedioate;4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoic acid
CID 157964442

Frequently Asked Questions

What is the IUPAC name of lithium;2-[1-(2-aminoethoxy)cyclopentyl]oxyethanamine;benzyl N-[2-[1-(2-acetamidoethoxy)cyclopentyl]oxyethyl]carbamate;benzyl N-[2-[1-(2-aminoethoxy)cyclopentyl]oxyethyl]carbamate;3-(2,5-dioxopyrrol-1-yl)propanoic acid;methane;(4S)-5-methoxy-4-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxopentanoic acid;methyl (2S)-8-[1-(2-aminoethoxy)cyclopentyl]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)cyclopentyl]oxyoctanoate;hydroxide?
The IUPAC name of lithium;2-[1-(2-aminoethoxy)cyclopentyl]oxyethanamine;benzyl N-[2-[1-(2-acetamidoethoxy)cyclopentyl]oxyethyl]carbamate;benzyl N-[2-[1-(2-aminoethoxy)cyclopentyl]oxyethyl]carbamate;3-(2,5-dioxopyrrol-1-yl)propanoic acid;methane;(4S)-5-methoxy-4-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxopentanoic acid;methyl (2S)-8-[1-(2-aminoethoxy)cyclopentyl]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)cyclopentyl]oxyoctanoate;hydroxide (CID 157241089) is lithium;2-[1-(2-aminoethoxy)cyclopentyl]oxyethanamine;benzyl N-[2-[1-(2-acetamidoethoxy)cyclopentyl]oxyethyl]carbamate;benzyl N-[2-[1-(2-aminoethoxy)cyclopentyl]oxyethyl]carbamate;3-(2,5-dioxopyrrol-1-yl)propanoic acid;methane;(4S)-5-methoxy-4-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxopentanoic acid;methyl (2S)-8-[1-(2-aminoethoxy)cyclopentyl]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)cyclopentyl]oxyoctanoate;hydroxide.
What is the SMILES notation for lithium;2-[1-(2-aminoethoxy)cyclopentyl]oxyethanamine;benzyl N-[2-[1-(2-acetamidoethoxy)cyclopentyl]oxyethyl]carbamate;benzyl N-[2-[1-(2-aminoethoxy)cyclopentyl]oxyethyl]carbamate;3-(2,5-dioxopyrrol-1-yl)propanoic acid;methane;(4S)-5-methoxy-4-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxopentanoic acid;methyl (2S)-8-[1-(2-aminoethoxy)cyclopentyl]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)cyclopentyl]oxyoctanoate;hydroxide?
The canonical SMILES for lithium;2-[1-(2-aminoethoxy)cyclopentyl]oxyethanamine;benzyl N-[2-[1-(2-acetamidoethoxy)cyclopentyl]oxyethyl]carbamate;benzyl N-[2-[1-(2-aminoethoxy)cyclopentyl]oxyethyl]carbamate;3-(2,5-dioxopyrrol-1-yl)propanoic acid;methane;(4S)-5-methoxy-4-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxopentanoic acid;methyl (2S)-8-[1-(2-aminoethoxy)cyclopentyl]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)cyclopentyl]oxyoctanoate;hydroxide is C.C.CC(=O)NCCOC1(OCCNC(=O)OCc2ccccc2)CCCC1.COC(=O)[C@H](CCC(=O)CCCOC1(OCCCC(=O)OCc2ccccc2)CCCC1)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)CCCC1)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)O)NC(=O)c1ccc(N(Cc2cnc3nc(NC(=O)C(C)C)[nH]c(=O)c3n2)C(=O)C(F)(F)F)cc1.NCCOC1(OCCN)CCCC1.NCCOC1(OCCNC(=O)OCc2ccccc2)CCCC1.O=C(O)CCN1C(=O)C=CC1=O.[Li+].[OH-].
What is the InChIKey of lithium;2-[1-(2-aminoethoxy)cyclopentyl]oxyethanamine;benzyl N-[2-[1-(2-acetamidoethoxy)cyclopentyl]oxyethyl]carbamate;benzyl N-[2-[1-(2-aminoethoxy)cyclopentyl]oxyethyl]carbamate;3-(2,5-dioxopyrrol-1-yl)propanoic acid;methane;(4S)-5-methoxy-4-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxopentanoic acid;methyl (2S)-8-[1-(2-aminoethoxy)cyclopentyl]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)cyclopentyl]oxyoctanoate;hydroxide?
The InChIKey is AVFLPXHGYRBMNQ-LFZXRIOLSA-M. The full InChI is InChI=1S/C45H52F3N7O11.C36H45F3N8O9.C26H26F3N7O8.C19H28N2O5.C17H26N2O4.C9H20N2O2.C7H7NO4.2CH4.Li.H2O/c1-28(2)38(58)53-43-52-37-36(40(60)54-43)50-31(25-49-37)26-55(42(62)45(46,47)48)32-17-15-30(16-18-32)39(59)51-34(41(61)63-3)20-19-33(56)13-9-23-65-44(21-7-8-22-44)66-24-10-14-35(57)64-27-29-11-5-4-6-12-29;1-21(2)29(49)45-34-44-28-27(31(51)46-34)42-23(19-41-28)20-47(33(53)36(37,38)39)24-10-8-22(9-11-24)30(50)43-26(32(52)54-3)13-12-25(48)7-6-17-55-35(56-18-16-40)14-4-5-15-35;1-12(2)20(39)34-25-33-19-18(22(41)35-25)31-14(10-30-19)11-36(24(43)26(27,28)29)15-6-4-13(5-7-15)21(40)32-16(23(42)44-3)8-9-17(37)38;1-16(22)20-11-13-25-19(9-5-6-10-19)26-14-12-21-18(23)24-15-17-7-3-2-4-8-17;18-10-12-22-17(8-4-5-9-17)23-13-11-19-16(20)21-14-15-6-2-1-3-7-15;10-5-7-12-9(13-8-6-11)3-1-2-4-9;9-5-1-2-6(10)8(5)4-3-7(11)12;;;;/h4-6,11-12,15-18,25,28,34H,7-10,13-14,19-24,26-27H2,1-3H3,(H,51,59)(H2,49,52,53,54,58,60);8-11,19,21,26H,4-7,12-18,20,40H2,1-3H3,(H,43,50)(H2,41,44,45,46,49,51);4-7,10,12,16H,8-9,11H2,1-3H3,(H,32,40)(H,37,38)(H2,30,33,34,35,39,41);2-4,7-8H,5-6,9-15H2,1H3,(H,20,22)(H,21,23);1-3,6-7H,4-5,8-14,18H2,(H,19,20);1-8,10-11H2;1-2H,3-4H2,(H,11,12);2*1H4;;1H2/q;;;;;;;;;+1;/p-1/t34-;26-;16-;;;;;;;;/m000......../s1.
What are the key properties of lithium;2-[1-(2-aminoethoxy)cyclopentyl]oxyethanamine;benzyl N-[2-[1-(2-acetamidoethoxy)cyclopentyl]oxyethyl]carbamate;benzyl N-[2-[1-(2-aminoethoxy)cyclopentyl]oxyethyl]carbamate;3-(2,5-dioxopyrrol-1-yl)propanoic acid;methane;(4S)-5-methoxy-4-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxopentanoic acid;methyl (2S)-8-[1-(2-aminoethoxy)cyclopentyl]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)cyclopentyl]oxyoctanoate;hydroxide?
lithium;2-[1-(2-aminoethoxy)cyclopentyl]oxyethanamine;benzyl N-[2-[1-(2-acetamidoethoxy)cyclopentyl]oxyethyl]carbamate;benzyl N-[2-[1-(2-aminoethoxy)cyclopentyl]oxyethyl]carbamate;3-(2,5-dioxopyrrol-1-yl)propanoic acid;methane;(4S)-5-methoxy-4-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxopentanoic acid;methyl (2S)-8-[1-(2-aminoethoxy)cyclopentyl]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)cyclopentyl]oxyoctanoate;hydroxide has a molecular weight of 3436.56 g/mol, XLogP of 12.46, 81 rotatable bonds, 18 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-[1-(2-aminoethoxy)cyclopentyl]oxyethanamine;benzyl N-[2-[1-(2-acetamidoethoxy)cyclopentyl]oxyethyl]carbamate;benzyl N-[2-[1-(2-aminoethoxy)cyclopentyl]oxyethyl]carbamate;3-(2,5-dioxopyrrol-1-yl)propanoic acid;methane;(4S)-5-methoxy-4-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxopentanoic acid;methyl (2S)-8-[1-(2-aminoethoxy)cyclopentyl]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)cyclopentyl]oxyoctanoate;hydroxide is sourced from PubChem (CID 157241089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).