19-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-16-oxononadecanoic acid;23-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-20-oxotricosanoic acid;20-[3-[2-[2-[3-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]propoxy]ethoxy]ethoxy]propylamino]-20-oxoicosanoic acid;21-[2-[2-[2-[2-[(4R)-4-carboxy-2,7-dioxooctoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-18-oxohenicosanoic acid;19-[2-[2-[2-[2-[(4R)-4-carboxy-2,7-dioxooctoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-16-oxononadecanoic acid;16-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-16-oxohexadecanoic acid;20-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-20-oxoicosanoic acid

C259H456N8O77 — CID 159889101

IUPAC19-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-16-oxononadecanoic acid;23-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-20-oxotricosanoic acid;20-[3-[2-[2-[3-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]propoxy]ethoxy]ethoxy]propylamino]-20-oxoicosanoic acid;21-[2-[2-[2-[2-[(4R)-4-carboxy-2,7-dioxooctoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-18-oxohenicosanoic acid;19-[2-[2-[2-[2-[(4R)-4-carboxy-2,7-dioxooctoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-16-oxononadecanoic acid;16-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-16-oxohexadecanoic acid;20-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-20-oxoicosanoic acid
SMILESCC(=O)CCC(CC(=O)CCC(=O)NCCCOCCOCCOCCCNC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O.CC(=O)CCC(CC(=O)CCC(=O)NCCOCCOCCCC(=O)CCCCCCCCCCCCCCC(=O)O)C(=O)O.CC(=O)CCC(CC(=O)COCC(=O)CCCOCCOCCNC(=O)CCCCCCCCCCCCCCC(=O)O)C(=O)O.CC(=O)CCC(CC(=O)COCCOCCNC(=O)COCCOCCCC(=O)CCCCCCCCCCCCCCC(=O)O)C(=O)O.CC(=O)CC[C@H](CC(=O)CCC(=O)NCCOCCOCCCC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O.CC(=O)CC[C@H](CC(=O)COCC(=O)CCCOCCOCCNC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O.CC(=O)CC[C@H](CC(=O)COCCOCCNC(=O)COCCOCCCC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O
InChIInChI=1S/C41H74N2O11.C38H67NO12.C38H67NO11.C38H67NO10.C36H63NO12.C34H59NO11.C34H59NO10/c1-35(44)22-23-36(41(50)51)34-37(45)24-25-39(47)43-27-19-29-53-31-33-54-32-30-52-28-18-26-42-38(46)20-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-21-40(48)49;1-32(40)20-21-33(38(46)47)29-35(42)30-50-27-26-49-24-22-39-36(43)31-51-28-25-48-23-16-18-34(41)17-14-12-10-8-6-4-2-3-5-7-9-11-13-15-19-37(44)45;1-32(40)22-23-33(38(46)47)29-35(42)31-50-30-34(41)19-18-25-48-27-28-49-26-24-39-36(43)20-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-21-37(44)45;1-32(40)22-23-33(38(46)47)31-35(42)24-25-36(43)39-26-28-49-30-29-48-27-18-20-34(41)19-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-21-37(44)45;1-30(38)18-19-31(36(44)45)27-33(40)28-48-25-24-47-22-20-37-34(41)29-49-26-23-46-21-14-16-32(39)15-12-10-8-6-4-2-3-5-7-9-11-13-17-35(42)43;1-28(36)18-19-29(34(42)43)25-31(38)27-46-26-30(37)15-14-21-44-23-24-45-22-20-35-32(39)16-12-10-8-6-4-2-3-5-7-9-11-13-17-33(40)41;1-28(36)18-19-29(34(42)43)27-31(38)20-21-32(39)35-22-24-45-26-25-44-23-14-16-30(37)15-12-10-8-6-4-2-3-5-7-9-11-13-17-33(40)41/h36H,2-34H2,1H3,(H,42,46)(H,43,47)(H,48,49)(H,50,51);33H,2-31H2,1H3,(H,39,43)(H,44,45)(H,46,47);33H,2-31H2,1H3,(H,39,43)(H,44,45)(H,46,47);33H,2-31H2,1H3,(H,39,43)(H,44,45)(H,46,47);31H,2-29H2,1H3,(H,37,41)(H,42,43)(H,44,45);29H,2-27H2,1H3,(H,35,39)(H,40,41)(H,42,43);29H,2-27H2,1H3,(H,35,39)(H,40,41)(H,42,43)/t;3*33-;;;/m.111.../s1
InChIKeyNUMZVWQQWCHVPC-HLNURGRXSA-N
MW4914.48 g/mol
LogP42.89
Rot. Bonds266

About 19-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-16-oxononadecanoic acid;23-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-20-oxotricosanoic acid;20-[3-[2-[2-[3-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]propoxy]ethoxy]ethoxy]propylamino]-20-oxoicosanoic acid;21-[2-[2-[2-[2-[(4R)-4-carboxy-2,7-dioxooctoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-18-oxohenicosanoic acid;19-[2-[2-[2-[2-[(4R)-4-carboxy-2,7-dioxooctoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-16-oxononadecanoic acid;16-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-16-oxohexadecanoic acid;20-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-20-oxoicosanoic acid

19-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-16-oxononadecanoic acid;23-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-20-oxotricosanoic acid;20-[3-[2-[2-[3-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]propoxy]ethoxy]ethoxy]propylamino]-20-oxoicosanoic acid;21-[2-[2-[2-[2-[(4R)-4-carboxy-2,7-dioxooctoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-18-oxohenicosanoic acid;19-[2-[2-[2-[2-[(4R)-4-carboxy-2,7-dioxooctoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-16-oxononadecanoic acid;16-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-16-oxohexadecanoic acid;20-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-20-oxoicosanoic acid (PubChem CID 159889101) has the molecular formula C259H456N8O77 and a molecular weight of 4914.48 g/mol. Its IUPAC name is 19-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-16-oxononadecanoic acid;23-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-20-oxotricosanoic acid;20-[3-[2-[2-[3-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]propoxy]ethoxy]ethoxy]propylamino]-20-oxoicosanoic acid;21-[2-[2-[2-[2-[(4R)-4-carboxy-2,7-dioxooctoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-18-oxohenicosanoic acid;19-[2-[2-[2-[2-[(4R)-4-carboxy-2,7-dioxooctoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-16-oxononadecanoic acid;16-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-16-oxohexadecanoic acid;20-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-20-oxoicosanoic acid.

Molecular Properties

Compound Name19-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-16-oxononadecanoic acid;23-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-20-oxotricosanoic acid;20-[3-[2-[2-[3-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]propoxy]ethoxy]ethoxy]propylamino]-20-oxoicosanoic acid;21-[2-[2-[2-[2-[(4R)-4-carboxy-2,7-dioxooctoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-18-oxohenicosanoic acid;19-[2-[2-[2-[2-[(4R)-4-carboxy-2,7-dioxooctoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-16-oxononadecanoic acid;16-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-16-oxohexadecanoic acid;20-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-20-oxoicosanoic acid
PubChem CID159889101
Molecular FormulaC259H456N8O77
Molecular Weight4914.48 g/mol
Exact Mass4911.20
IUPAC Name19-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-16-oxononadecanoic acid;23-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-20-oxotricosanoic acid;20-[3-[2-[2-[3-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]propoxy]ethoxy]ethoxy]propylamino]-20-oxoicosanoic acid;21-[2-[2-[2-[2-[(4R)-4-carboxy-2,7-dioxooctoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-18-oxohenicosanoic acid;19-[2-[2-[2-[2-[(4R)-4-carboxy-2,7-dioxooctoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-16-oxononadecanoic acid;16-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-16-oxohexadecanoic acid;20-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-20-oxoicosanoic acid
SMILESCC(=O)CCC(CC(=O)CCC(=O)NCCCOCCOCCOCCCNC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O.CC(=O)CCC(CC(=O)CCC(=O)NCCOCCOCCCC(=O)CCCCCCCCCCCCCCC(=O)O)C(=O)O.CC(=O)CCC(CC(=O)COCC(=O)CCCOCCOCCNC(=O)CCCCCCCCCCCCCCC(=O)O)C(=O)O.CC(=O)CCC(CC(=O)COCCOCCNC(=O)COCCOCCCC(=O)CCCCCCCCCCCCCCC(=O)O)C(=O)O.CC(=O)CC[C@H](CC(=O)CCC(=O)NCCOCCOCCCC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O.CC(=O)CC[C@H](CC(=O)COCC(=O)CCCOCCOCCNC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O.CC(=O)CC[C@H](CC(=O)COCCOCCNC(=O)COCCOCCCC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O
InChIInChI=1S/C41H74N2O11.C38H67NO12.C38H67NO11.C38H67NO10.C36H63NO12.C34H59NO11.C34H59NO10/c1-35(44)22-23-36(41(50)51)34-37(45)24-25-39(47)43-27-19-29-53-31-33-54-32-30-52-28-18-26-42-38(46)20-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-21-40(48)49;1-32(40)20-21-33(38(46)47)29-35(42)30-50-27-26-49-24-22-39-36(43)31-51-28-25-48-23-16-18-34(41)17-14-12-10-8-6-4-2-3-5-7-9-11-13-15-19-37(44)45;1-32(40)22-23-33(38(46)47)29-35(42)31-50-30-34(41)19-18-25-48-27-28-49-26-24-39-36(43)20-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-21-37(44)45;1-32(40)22-23-33(38(46)47)31-35(42)24-25-36(43)39-26-28-49-30-29-48-27-18-20-34(41)19-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-21-37(44)45;1-30(38)18-19-31(36(44)45)27-33(40)28-48-25-24-47-22-20-37-34(41)29-49-26-23-46-21-14-16-32(39)15-12-10-8-6-4-2-3-5-7-9-11-13-17-35(42)43;1-28(36)18-19-29(34(42)43)25-31(38)27-46-26-30(37)15-14-21-44-23-24-45-22-20-35-32(39)16-12-10-8-6-4-2-3-5-7-9-11-13-17-33(40)41;1-28(36)18-19-29(34(42)43)27-31(38)20-21-32(39)35-22-24-45-26-25-44-23-14-16-30(37)15-12-10-8-6-4-2-3-5-7-9-11-13-17-33(40)41/h36H,2-34H2,1H3,(H,42,46)(H,43,47)(H,48,49)(H,50,51);33H,2-31H2,1H3,(H,39,43)(H,44,45)(H,46,47);33H,2-31H2,1H3,(H,39,43)(H,44,45)(H,46,47);33H,2-31H2,1H3,(H,39,43)(H,44,45)(H,46,47);31H,2-29H2,1H3,(H,37,41)(H,42,43)(H,44,45);29H,2-27H2,1H3,(H,35,39)(H,40,41)(H,42,43);29H,2-27H2,1H3,(H,35,39)(H,40,41)(H,42,43)/t;3*33-;;;/m.111.../s1
InChIKeyNUMZVWQQWCHVPC-HLNURGRXSA-N
XLogP42.89
TPSA1290.23 Ų
H-Bond Donors22
H-Bond Acceptors63
Rotatable Bonds266
Heavy Atoms344
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004914.48
LogP ≤ 542.89
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1063

Analyze 19-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-16-oxononadecanoic acid;23-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-20-oxotricosanoic acid;20-[3-[2-[2-[3-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]propoxy]ethoxy]ethoxy]propylamino]-20-oxoicosanoic acid;21-[2-[2-[2-[2-[(4R)-4-carboxy-2,7-dioxooctoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-18-oxohenicosanoic acid;19-[2-[2-[2-[2-[(4R)-4-carboxy-2,7-dioxooctoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-16-oxononadecanoic acid;16-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-16-oxohexadecanoic acid;20-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-20-oxoicosanoic acid with MolForge

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Launch Full Analysis

Related Compounds

21-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-18-oxohenicosanoic acid;19-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-16-oxononadecanoic acid;23-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-20-oxotricosanoic acid;16-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-16-oxohexadecanoic acid;20-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-20-oxoicosanoic acid;18-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-18-oxooctadecanoic acid
CID 159521370
16-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-16-oxohexadecanoic acid
CID 58238722
19-[2-[2-[2-[(5R)-5-carboxy-3,8-dioxononoxy]ethoxy]ethoxy]ethoxy]-16-oxononadecanoic acid;(2R)-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-[2-oxo-2-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]ethoxy]ethoxy]pentoxy]ethoxy]ethylamino]propyl]henicosanedioic acid;(2R)-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-[2-oxo-2-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]ethoxy]ethoxy]pentoxy]ethoxy]ethylamino]propyl]nonadecanedioic acid;(2R)-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]pentoxy]ethoxy]ethylamino]propyl]nonadecanedioic acid;(2R)-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]henicosanedioic acid;(2R)-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]nonadecanedioic acid
CID 159060722
(2R)-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]propyl]tricosanedioic acid
CID 58238701
(2R)-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]henicosanedioic acid;(2R)-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]nonadecanedioic acid;(2R)-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]tricosanedioic acid;(2R)-4-oxo-2-[3-oxo-3-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]propyl]henicosanedioic acid
CID 157277137
(2R)-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]pentacosanedioic acid
CID 58249245
(2R)-2-[3-[2-[2-[5-[2-[2-[(5-bromo-4-oxopentyl)amino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-3-oxopropyl]-4-oxopentadecanedioic acid
CID 148524073
(2S)-4-oxo-2-[3-oxo-3-[3-[2-[2-[3-[[2-(2-oxopropoxy)acetyl]amino]propoxy]ethoxy]ethoxy]propylamino]propyl]tricosanedioic acid
CID 58249197
14-[[(1S)-1-carboxy-7-[2-[2-[2-[2-[(4R)-4-carboxy-2,7-dioxooctoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-4-oxoheptyl]amino]-14-oxotetradecanoic acid
CID 157067449
20-[3-[4-[6-[(4R)-4-acetyl-2,7-dioxooctoxy]-5-oxohexoxy]butoxy]propylamino]-20-oxoicosanoic acid
CID 159500205
(2R)-2-[6-[2-[5-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]-3-oxohexyl]-4-oxotricosanedioic acid
CID 158500711
(2R)-2-[6-[2-[5-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]-3-oxohexyl]-4-oxohenicosanedioic acid
CID 148552673

Frequently Asked Questions

What is the IUPAC name of 19-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-16-oxononadecanoic acid;23-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-20-oxotricosanoic acid;20-[3-[2-[2-[3-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]propoxy]ethoxy]ethoxy]propylamino]-20-oxoicosanoic acid;21-[2-[2-[2-[2-[(4R)-4-carboxy-2,7-dioxooctoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-18-oxohenicosanoic acid;19-[2-[2-[2-[2-[(4R)-4-carboxy-2,7-dioxooctoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-16-oxononadecanoic acid;16-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-16-oxohexadecanoic acid;20-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-20-oxoicosanoic acid?
The IUPAC name of 19-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-16-oxononadecanoic acid;23-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-20-oxotricosanoic acid;20-[3-[2-[2-[3-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]propoxy]ethoxy]ethoxy]propylamino]-20-oxoicosanoic acid;21-[2-[2-[2-[2-[(4R)-4-carboxy-2,7-dioxooctoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-18-oxohenicosanoic acid;19-[2-[2-[2-[2-[(4R)-4-carboxy-2,7-dioxooctoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-16-oxononadecanoic acid;16-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-16-oxohexadecanoic acid;20-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-20-oxoicosanoic acid (CID 159889101) is 19-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-16-oxononadecanoic acid;23-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-20-oxotricosanoic acid;20-[3-[2-[2-[3-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]propoxy]ethoxy]ethoxy]propylamino]-20-oxoicosanoic acid;21-[2-[2-[2-[2-[(4R)-4-carboxy-2,7-dioxooctoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-18-oxohenicosanoic acid;19-[2-[2-[2-[2-[(4R)-4-carboxy-2,7-dioxooctoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-16-oxononadecanoic acid;16-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-16-oxohexadecanoic acid;20-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-20-oxoicosanoic acid.
What is the SMILES notation for 19-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-16-oxononadecanoic acid;23-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-20-oxotricosanoic acid;20-[3-[2-[2-[3-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]propoxy]ethoxy]ethoxy]propylamino]-20-oxoicosanoic acid;21-[2-[2-[2-[2-[(4R)-4-carboxy-2,7-dioxooctoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-18-oxohenicosanoic acid;19-[2-[2-[2-[2-[(4R)-4-carboxy-2,7-dioxooctoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-16-oxononadecanoic acid;16-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-16-oxohexadecanoic acid;20-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-20-oxoicosanoic acid?
The canonical SMILES for 19-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-16-oxononadecanoic acid;23-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-20-oxotricosanoic acid;20-[3-[2-[2-[3-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]propoxy]ethoxy]ethoxy]propylamino]-20-oxoicosanoic acid;21-[2-[2-[2-[2-[(4R)-4-carboxy-2,7-dioxooctoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-18-oxohenicosanoic acid;19-[2-[2-[2-[2-[(4R)-4-carboxy-2,7-dioxooctoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-16-oxononadecanoic acid;16-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-16-oxohexadecanoic acid;20-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-20-oxoicosanoic acid is CC(=O)CCC(CC(=O)CCC(=O)NCCCOCCOCCOCCCNC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O.CC(=O)CCC(CC(=O)CCC(=O)NCCOCCOCCCC(=O)CCCCCCCCCCCCCCC(=O)O)C(=O)O.CC(=O)CCC(CC(=O)COCC(=O)CCCOCCOCCNC(=O)CCCCCCCCCCCCCCC(=O)O)C(=O)O.CC(=O)CCC(CC(=O)COCCOCCNC(=O)COCCOCCCC(=O)CCCCCCCCCCCCCCC(=O)O)C(=O)O.CC(=O)CC[C@H](CC(=O)CCC(=O)NCCOCCOCCCC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O.CC(=O)CC[C@H](CC(=O)COCC(=O)CCCOCCOCCNC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O.CC(=O)CC[C@H](CC(=O)COCCOCCNC(=O)COCCOCCCC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O.
What is the InChIKey of 19-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-16-oxononadecanoic acid;23-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-20-oxotricosanoic acid;20-[3-[2-[2-[3-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]propoxy]ethoxy]ethoxy]propylamino]-20-oxoicosanoic acid;21-[2-[2-[2-[2-[(4R)-4-carboxy-2,7-dioxooctoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-18-oxohenicosanoic acid;19-[2-[2-[2-[2-[(4R)-4-carboxy-2,7-dioxooctoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-16-oxononadecanoic acid;16-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-16-oxohexadecanoic acid;20-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-20-oxoicosanoic acid?
The InChIKey is NUMZVWQQWCHVPC-HLNURGRXSA-N. The full InChI is InChI=1S/C41H74N2O11.C38H67NO12.C38H67NO11.C38H67NO10.C36H63NO12.C34H59NO11.C34H59NO10/c1-35(44)22-23-36(41(50)51)34-37(45)24-25-39(47)43-27-19-29-53-31-33-54-32-30-52-28-18-26-42-38(46)20-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-21-40(48)49;1-32(40)20-21-33(38(46)47)29-35(42)30-50-27-26-49-24-22-39-36(43)31-51-28-25-48-23-16-18-34(41)17-14-12-10-8-6-4-2-3-5-7-9-11-13-15-19-37(44)45;1-32(40)22-23-33(38(46)47)29-35(42)31-50-30-34(41)19-18-25-48-27-28-49-26-24-39-36(43)20-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-21-37(44)45;1-32(40)22-23-33(38(46)47)31-35(42)24-25-36(43)39-26-28-49-30-29-48-27-18-20-34(41)19-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-21-37(44)45;1-30(38)18-19-31(36(44)45)27-33(40)28-48-25-24-47-22-20-37-34(41)29-49-26-23-46-21-14-16-32(39)15-12-10-8-6-4-2-3-5-7-9-11-13-17-35(42)43;1-28(36)18-19-29(34(42)43)25-31(38)27-46-26-30(37)15-14-21-44-23-24-45-22-20-35-32(39)16-12-10-8-6-4-2-3-5-7-9-11-13-17-33(40)41;1-28(36)18-19-29(34(42)43)27-31(38)20-21-32(39)35-22-24-45-26-25-44-23-14-16-30(37)15-12-10-8-6-4-2-3-5-7-9-11-13-17-33(40)41/h36H,2-34H2,1H3,(H,42,46)(H,43,47)(H,48,49)(H,50,51);33H,2-31H2,1H3,(H,39,43)(H,44,45)(H,46,47);33H,2-31H2,1H3,(H,39,43)(H,44,45)(H,46,47);33H,2-31H2,1H3,(H,39,43)(H,44,45)(H,46,47);31H,2-29H2,1H3,(H,37,41)(H,42,43)(H,44,45);29H,2-27H2,1H3,(H,35,39)(H,40,41)(H,42,43);29H,2-27H2,1H3,(H,35,39)(H,40,41)(H,42,43)/t;3*33-;;;/m.111.../s1.
What are the key properties of 19-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-16-oxononadecanoic acid;23-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-20-oxotricosanoic acid;20-[3-[2-[2-[3-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]propoxy]ethoxy]ethoxy]propylamino]-20-oxoicosanoic acid;21-[2-[2-[2-[2-[(4R)-4-carboxy-2,7-dioxooctoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-18-oxohenicosanoic acid;19-[2-[2-[2-[2-[(4R)-4-carboxy-2,7-dioxooctoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-16-oxononadecanoic acid;16-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-16-oxohexadecanoic acid;20-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-20-oxoicosanoic acid?
19-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-16-oxononadecanoic acid;23-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-20-oxotricosanoic acid;20-[3-[2-[2-[3-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]propoxy]ethoxy]ethoxy]propylamino]-20-oxoicosanoic acid;21-[2-[2-[2-[2-[(4R)-4-carboxy-2,7-dioxooctoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-18-oxohenicosanoic acid;19-[2-[2-[2-[2-[(4R)-4-carboxy-2,7-dioxooctoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-16-oxononadecanoic acid;16-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-16-oxohexadecanoic acid;20-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-20-oxoicosanoic acid has a molecular weight of 4914.48 g/mol, XLogP of 42.89, 266 rotatable bonds, 22 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for 19-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-16-oxononadecanoic acid;23-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-20-oxotricosanoic acid;20-[3-[2-[2-[3-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]propoxy]ethoxy]ethoxy]propylamino]-20-oxoicosanoic acid;21-[2-[2-[2-[2-[(4R)-4-carboxy-2,7-dioxooctoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-18-oxohenicosanoic acid;19-[2-[2-[2-[2-[(4R)-4-carboxy-2,7-dioxooctoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-16-oxononadecanoic acid;16-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-16-oxohexadecanoic acid;20-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-20-oxoicosanoic acid is sourced from PubChem (CID 159889101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).