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

C251H442N8O86 — CID 159060722

IUPAC19-[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
SMILESCC(=O)CCC(CC(=O)CCOCCOCCOCCOCCCC(=O)CCCCCCCCCCCCCCC(=O)O)C(=O)O.CC(=O)COCCOCCCC(=O)COCCOCCNC(=O)CCC(CC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O.CC(=O)COCCOCCCC(=O)COCCOCCNC(=O)CC[C@H](CC(=O)CCCCCCCCCCCCCCC(=O)O)C(=O)O.CC(=O)COCCOCCCC(=O)COCCOCCNC(=O)COCCOCCCC(=O)COCCOCCNC(=O)CCC(CC(=O)CCCCCCCCCCCCCCC(=O)O)C(=O)O.CC(=O)COCCOCCCC(=O)COCCOCCNC(=O)COCCOCCCC(=O)COCCOCCNC(=O)CC[C@H](CC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O.CC(=O)COCCOCCNC(=O)COCCOCCCC(=O)COCCOCCNC(=O)CC[C@H](CC(=O)CCCCCCCCCCCCCCC(=O)O)C(=O)O
InChIInChI=1S/C51H90N2O18.C49H86N2O18.C42H74N2O15.C38H67NO12.C36H63NO12.C35H62O11/c1-43(54)39-68-34-30-64-26-16-19-46(56)41-70-36-33-67-29-25-53-49(59)42-71-37-31-65-27-17-20-47(57)40-69-35-32-66-28-24-52-48(58)23-22-44(51(62)63)38-45(55)18-14-12-10-8-6-4-2-3-5-7-9-11-13-15-21-50(60)61;1-41(52)37-66-32-28-62-24-14-17-44(54)39-68-34-31-65-27-23-51-47(57)40-69-35-29-63-25-15-18-45(55)38-67-33-30-64-26-22-50-46(56)21-20-42(49(60)61)36-43(53)16-12-10-8-6-4-2-3-5-7-9-11-13-19-48(58)59;1-35(45)32-57-28-26-56-24-21-44-40(49)34-59-30-25-54-22-14-16-38(47)33-58-29-27-55-23-20-43-39(48)19-18-36(42(52)53)31-37(46)15-12-10-8-6-4-2-3-5-7-9-11-13-17-41(50)51;1-32(40)30-50-27-25-48-23-16-18-35(42)31-51-28-26-49-24-22-39-36(43)21-20-33(38(46)47)29-34(41)17-14-12-10-8-6-4-2-3-5-7-9-11-13-15-19-37(44)45;1-30(38)28-48-25-23-46-21-14-16-33(40)29-49-26-24-47-22-20-37-34(41)19-18-31(36(44)45)27-32(39)15-12-10-8-6-4-2-3-5-7-9-11-13-17-35(42)43;1-30(36)18-19-31(35(41)42)29-33(38)20-22-44-24-26-46-28-27-45-25-23-43-21-14-16-32(37)15-12-10-8-6-4-2-3-5-7-9-11-13-17-34(39)40/h44H,2-42H2,1H3,(H,52,58)(H,53,59)(H,60,61)(H,62,63);42H,2-40H2,1H3,(H,50,56)(H,51,57)(H,58,59)(H,60,61);36H,2-34H2,1H3,(H,43,48)(H,44,49)(H,50,51)(H,52,53);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);31H,2-29H2,1H3,(H,39,40)(H,41,42)/t44-;;36-;;31-;/m1.1.1./s1
InChIKeyJYKWVECGVJRHGF-OMOYAIQESA-N
MW4948.27 g/mol
LogP31.61
Rot. Bonds273

About 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

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 (PubChem CID 159060722) has the molecular formula C251H442N8O86 and a molecular weight of 4948.27 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name19-[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
PubChem CID159060722
Molecular FormulaC251H442N8O86
Molecular Weight4948.27 g/mol
Exact Mass4945.05
IUPAC Name19-[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
SMILESCC(=O)CCC(CC(=O)CCOCCOCCOCCOCCCC(=O)CCCCCCCCCCCCCCC(=O)O)C(=O)O.CC(=O)COCCOCCCC(=O)COCCOCCNC(=O)CCC(CC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O.CC(=O)COCCOCCCC(=O)COCCOCCNC(=O)CC[C@H](CC(=O)CCCCCCCCCCCCCCC(=O)O)C(=O)O.CC(=O)COCCOCCCC(=O)COCCOCCNC(=O)COCCOCCCC(=O)COCCOCCNC(=O)CCC(CC(=O)CCCCCCCCCCCCCCC(=O)O)C(=O)O.CC(=O)COCCOCCCC(=O)COCCOCCNC(=O)COCCOCCCC(=O)COCCOCCNC(=O)CC[C@H](CC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O.CC(=O)COCCOCCNC(=O)COCCOCCCC(=O)COCCOCCNC(=O)CC[C@H](CC(=O)CCCCCCCCCCCCCCC(=O)O)C(=O)O
InChIInChI=1S/C51H90N2O18.C49H86N2O18.C42H74N2O15.C38H67NO12.C36H63NO12.C35H62O11/c1-43(54)39-68-34-30-64-26-16-19-46(56)41-70-36-33-67-29-25-53-49(59)42-71-37-31-65-27-17-20-47(57)40-69-35-32-66-28-24-52-48(58)23-22-44(51(62)63)38-45(55)18-14-12-10-8-6-4-2-3-5-7-9-11-13-15-21-50(60)61;1-41(52)37-66-32-28-62-24-14-17-44(54)39-68-34-31-65-27-23-51-47(57)40-69-35-29-63-25-15-18-45(55)38-67-33-30-64-26-22-50-46(56)21-20-42(49(60)61)36-43(53)16-12-10-8-6-4-2-3-5-7-9-11-13-19-48(58)59;1-35(45)32-57-28-26-56-24-21-44-40(49)34-59-30-25-54-22-14-16-38(47)33-58-29-27-55-23-20-43-39(48)19-18-36(42(52)53)31-37(46)15-12-10-8-6-4-2-3-5-7-9-11-13-17-41(50)51;1-32(40)30-50-27-25-48-23-16-18-35(42)31-51-28-26-49-24-22-39-36(43)21-20-33(38(46)47)29-34(41)17-14-12-10-8-6-4-2-3-5-7-9-11-13-15-19-37(44)45;1-30(38)28-48-25-23-46-21-14-16-33(40)29-49-26-24-47-22-20-37-34(41)19-18-31(36(44)45)27-32(39)15-12-10-8-6-4-2-3-5-7-9-11-13-17-35(42)43;1-30(36)18-19-31(35(41)42)29-33(38)20-22-44-24-26-46-28-27-45-25-23-43-21-14-16-32(37)15-12-10-8-6-4-2-3-5-7-9-11-13-17-34(39)40/h44H,2-42H2,1H3,(H,52,58)(H,53,59)(H,60,61)(H,62,63);42H,2-40H2,1H3,(H,50,56)(H,51,57)(H,58,59)(H,60,61);36H,2-34H2,1H3,(H,43,48)(H,44,49)(H,50,51)(H,52,53);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);31H,2-29H2,1H3,(H,39,40)(H,41,42)/t44-;;36-;;31-;/m1.1.1./s1
InChIKeyJYKWVECGVJRHGF-OMOYAIQESA-N
XLogP31.61
TPSA1335.62 Ų
H-Bond Donors20
H-Bond Acceptors74
Rotatable Bonds273
Heavy Atoms345
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004948.27
LogP ≤ 531.61
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1074

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

(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
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
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
(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
(2R)-4-oxo-2-[3-oxo-3-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propyl]nonadecanedioic acid
CID 58249279
(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
(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
(16R)-16-methoxycarbonyl-14,19-dioxo-19-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]nonadecanoic acid
CID 58339072

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)CCC(CC(=O)CCOCCOCCOCCOCCCC(=O)CCCCCCCCCCCCCCC(=O)O)C(=O)O.CC(=O)COCCOCCCC(=O)COCCOCCNC(=O)CCC(CC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O.CC(=O)COCCOCCCC(=O)COCCOCCNC(=O)CC[C@H](CC(=O)CCCCCCCCCCCCCCC(=O)O)C(=O)O.CC(=O)COCCOCCCC(=O)COCCOCCNC(=O)COCCOCCCC(=O)COCCOCCNC(=O)CCC(CC(=O)CCCCCCCCCCCCCCC(=O)O)C(=O)O.CC(=O)COCCOCCCC(=O)COCCOCCNC(=O)COCCOCCCC(=O)COCCOCCNC(=O)CC[C@H](CC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O.CC(=O)COCCOCCNC(=O)COCCOCCCC(=O)COCCOCCNC(=O)CC[C@H](CC(=O)CCCCCCCCCCCCCCC(=O)O)C(=O)O.
What is the InChIKey of 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?
The InChIKey is JYKWVECGVJRHGF-OMOYAIQESA-N. The full InChI is InChI=1S/C51H90N2O18.C49H86N2O18.C42H74N2O15.C38H67NO12.C36H63NO12.C35H62O11/c1-43(54)39-68-34-30-64-26-16-19-46(56)41-70-36-33-67-29-25-53-49(59)42-71-37-31-65-27-17-20-47(57)40-69-35-32-66-28-24-52-48(58)23-22-44(51(62)63)38-45(55)18-14-12-10-8-6-4-2-3-5-7-9-11-13-15-21-50(60)61;1-41(52)37-66-32-28-62-24-14-17-44(54)39-68-34-31-65-27-23-51-47(57)40-69-35-29-63-25-15-18-45(55)38-67-33-30-64-26-22-50-46(56)21-20-42(49(60)61)36-43(53)16-12-10-8-6-4-2-3-5-7-9-11-13-19-48(58)59;1-35(45)32-57-28-26-56-24-21-44-40(49)34-59-30-25-54-22-14-16-38(47)33-58-29-27-55-23-20-43-39(48)19-18-36(42(52)53)31-37(46)15-12-10-8-6-4-2-3-5-7-9-11-13-17-41(50)51;1-32(40)30-50-27-25-48-23-16-18-35(42)31-51-28-26-49-24-22-39-36(43)21-20-33(38(46)47)29-34(41)17-14-12-10-8-6-4-2-3-5-7-9-11-13-15-19-37(44)45;1-30(38)28-48-25-23-46-21-14-16-33(40)29-49-26-24-47-22-20-37-34(41)19-18-31(36(44)45)27-32(39)15-12-10-8-6-4-2-3-5-7-9-11-13-17-35(42)43;1-30(36)18-19-31(35(41)42)29-33(38)20-22-44-24-26-46-28-27-45-25-23-43-21-14-16-32(37)15-12-10-8-6-4-2-3-5-7-9-11-13-17-34(39)40/h44H,2-42H2,1H3,(H,52,58)(H,53,59)(H,60,61)(H,62,63);42H,2-40H2,1H3,(H,50,56)(H,51,57)(H,58,59)(H,60,61);36H,2-34H2,1H3,(H,43,48)(H,44,49)(H,50,51)(H,52,53);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);31H,2-29H2,1H3,(H,39,40)(H,41,42)/t44-;;36-;;31-;/m1.1.1./s1.
What are the key properties of 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?
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 has a molecular weight of 4948.27 g/mol, XLogP of 31.61, 273 rotatable bonds, 20 hydrogen bond donors, and 74 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159060722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).