20-[[4-[(3R)-3-carboxy-6-oxo-6-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]hexanoyl]cyclohexyl]methylamino]-20-oxoicosanoic 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]tricosanedioic 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]tricosanedioic acid;(2R)-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]pentacosanedioic 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]tricosanedioic acid

C262H465N9O79 — CID 159327301

IUPAC20-[[4-[(3R)-3-carboxy-6-oxo-6-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]hexanoyl]cyclohexyl]methylamino]-20-oxoicosanoic 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]tricosanedioic 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]tricosanedioic acid;(2R)-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]pentacosanedioic 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]tricosanedioic acid
SMILESCC(=O)COCCOCCCC(=O)COCCOCCNC(=O)CC[C@H](CC(=O)C1CCC(CNC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)CC1)C(=O)O.CC(=O)COCCOCCCC(=O)COCCOCCNC(=O)CC[C@H](CC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O.CC(=O)COCCOCCCC(=O)COCCOCCNC(=O)CC[C@H](CC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O.CC(=O)COCCOCCCC(=O)COCCOCCNC(=O)COCCOCCCC(=O)COCCOCCNC(=O)CC[C@H](CC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O.CC(=O)COCCOCCNC(=O)CC[C@H](CC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O.CC(=O)COCCOCCNC(=O)COCCOCCCC(=O)COCCOCCNC(=O)CC[C@H](CC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O
InChIInChI=1S/C53H94N2O18.C48H84N2O13.C46H82N2O15.C42H75NO12.C40H71NO12.C33H59NO9/c1-45(56)41-70-36-32-66-28-18-21-48(58)43-72-38-35-69-31-27-55-51(61)44-73-39-33-67-29-19-22-49(59)42-71-37-34-68-30-26-54-50(60)25-24-46(53(64)65)40-47(57)20-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-23-52(62)63;1-39(51)37-62-33-31-60-29-18-19-43(52)38-63-34-32-61-30-28-49-46(55)27-26-42(48(58)59)35-44(53)41-24-22-40(23-25-41)36-50-45(54)20-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-21-47(56)57;1-39(49)36-61-32-30-60-28-25-48-44(53)38-63-34-29-58-26-18-20-42(51)37-62-33-31-59-27-24-47-43(52)23-22-40(46(56)57)35-41(50)19-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-21-45(54)55;1-36(44)34-54-31-29-52-27-20-22-39(46)35-55-32-30-53-28-26-43-40(47)25-24-37(42(50)51)33-38(45)21-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-23-41(48)49;1-34(42)32-52-29-27-50-25-18-20-37(44)33-53-30-28-51-26-24-41-38(45)23-22-35(40(48)49)31-36(43)19-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-21-39(46)47;1-28(35)27-43-25-24-42-23-22-34-31(37)21-20-29(33(40)41)26-30(36)18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-32(38)39/h46H,2-44H2,1H3,(H,54,60)(H,55,61)(H,62,63)(H,64,65);40-42H,2-38H2,1H3,(H,49,55)(H,50,54)(H,56,57)(H,58,59);40H,2-38H2,1H3,(H,47,52)(H,48,53)(H,54,55)(H,56,57);37H,2-35H2,1H3,(H,43,47)(H,48,49)(H,50,51);35H,2-33H2,1H3,(H,41,45)(H,46,47)(H,48,49);29H,2-27H2,1H3,(H,34,37)(H,38,39)(H,40,41)/t46-;40?,41?,42-;40-;37-;35-;29-/m111111/s1
InChIKeyLENIZIAOSOLGBU-WRXRKYIDSA-N
MW5005.59 g/mol
LogP39.92
Rot. Bonds273

About 20-[[4-[(3R)-3-carboxy-6-oxo-6-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]hexanoyl]cyclohexyl]methylamino]-20-oxoicosanoic 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]tricosanedioic 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]tricosanedioic acid;(2R)-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]pentacosanedioic 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]tricosanedioic acid

20-[[4-[(3R)-3-carboxy-6-oxo-6-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]hexanoyl]cyclohexyl]methylamino]-20-oxoicosanoic 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]tricosanedioic 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]tricosanedioic acid;(2R)-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]pentacosanedioic 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]tricosanedioic acid (PubChem CID 159327301) has the molecular formula C262H465N9O79 and a molecular weight of 5005.59 g/mol. Its IUPAC name is 20-[[4-[(3R)-3-carboxy-6-oxo-6-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]hexanoyl]cyclohexyl]methylamino]-20-oxoicosanoic 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]tricosanedioic 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]tricosanedioic acid;(2R)-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]pentacosanedioic 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]tricosanedioic acid.

Molecular Properties

Compound Name20-[[4-[(3R)-3-carboxy-6-oxo-6-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]hexanoyl]cyclohexyl]methylamino]-20-oxoicosanoic 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]tricosanedioic 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]tricosanedioic acid;(2R)-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]pentacosanedioic 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]tricosanedioic acid
PubChem CID159327301
Molecular FormulaC262H465N9O79
Molecular Weight5005.59 g/mol
Exact Mass5002.26
IUPAC Name20-[[4-[(3R)-3-carboxy-6-oxo-6-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]hexanoyl]cyclohexyl]methylamino]-20-oxoicosanoic 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]tricosanedioic 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]tricosanedioic acid;(2R)-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]pentacosanedioic 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]tricosanedioic acid
SMILESCC(=O)COCCOCCCC(=O)COCCOCCNC(=O)CC[C@H](CC(=O)C1CCC(CNC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)CC1)C(=O)O.CC(=O)COCCOCCCC(=O)COCCOCCNC(=O)CC[C@H](CC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O.CC(=O)COCCOCCCC(=O)COCCOCCNC(=O)CC[C@H](CC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O.CC(=O)COCCOCCCC(=O)COCCOCCNC(=O)COCCOCCCC(=O)COCCOCCNC(=O)CC[C@H](CC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O.CC(=O)COCCOCCNC(=O)CC[C@H](CC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O.CC(=O)COCCOCCNC(=O)COCCOCCCC(=O)COCCOCCNC(=O)CC[C@H](CC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O
InChIInChI=1S/C53H94N2O18.C48H84N2O13.C46H82N2O15.C42H75NO12.C40H71NO12.C33H59NO9/c1-45(56)41-70-36-32-66-28-18-21-48(58)43-72-38-35-69-31-27-55-51(61)44-73-39-33-67-29-19-22-49(59)42-71-37-34-68-30-26-54-50(60)25-24-46(53(64)65)40-47(57)20-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-23-52(62)63;1-39(51)37-62-33-31-60-29-18-19-43(52)38-63-34-32-61-30-28-49-46(55)27-26-42(48(58)59)35-44(53)41-24-22-40(23-25-41)36-50-45(54)20-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-21-47(56)57;1-39(49)36-61-32-30-60-28-25-48-44(53)38-63-34-29-58-26-18-20-42(51)37-62-33-31-59-27-24-47-43(52)23-22-40(46(56)57)35-41(50)19-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-21-45(54)55;1-36(44)34-54-31-29-52-27-20-22-39(46)35-55-32-30-53-28-26-43-40(47)25-24-37(42(50)51)33-38(45)21-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-23-41(48)49;1-34(42)32-52-29-27-50-25-18-20-37(44)33-53-30-28-51-26-24-41-38(45)23-22-35(40(48)49)31-36(43)19-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-21-39(46)47;1-28(35)27-43-25-24-42-23-22-34-31(37)21-20-29(33(40)41)26-30(36)18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-32(38)39/h46H,2-44H2,1H3,(H,54,60)(H,55,61)(H,62,63)(H,64,65);40-42H,2-38H2,1H3,(H,49,55)(H,50,54)(H,56,57)(H,58,59);40H,2-38H2,1H3,(H,47,52)(H,48,53)(H,54,55)(H,56,57);37H,2-35H2,1H3,(H,43,47)(H,48,49)(H,50,51);35H,2-33H2,1H3,(H,41,45)(H,46,47)(H,48,49);29H,2-27H2,1H3,(H,34,37)(H,38,39)(H,40,41)/t46-;40?,41?,42-;40-;37-;35-;29-/m111111/s1
InChIKeyLENIZIAOSOLGBU-WRXRKYIDSA-N
XLogP39.92
TPSA1275.20 Ų
H-Bond Donors21
H-Bond Acceptors67
Rotatable Bonds273
Heavy Atoms350
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005005.59
LogP ≤ 539.92
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1067

Analyze 20-[[4-[(3R)-3-carboxy-6-oxo-6-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]hexanoyl]cyclohexyl]methylamino]-20-oxoicosanoic 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]tricosanedioic 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]tricosanedioic acid;(2R)-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]pentacosanedioic 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]tricosanedioic acid with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-[3-[2-[2-[5-[2-[(4R)-4-carboxy-2,7-dioxooctoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-3-oxopropyl]-4-oxononadecanedioic acid;20-[carboxymethyl(3-oxobutyl)amino]-20-oxoicosanoic acid;20-[[4-[(3R)-3-carboxy-6-oxo-6-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]hexanoyl]cyclohexyl]methylamino]-20-oxoicosanoic acid;(2R)-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]pentacosanedioic 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]tricosanedioic acid
CID 161389094
(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-[(4R)-4-carboxy-2,7-dioxooctoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-3-oxopropyl]-4,23-dioxotetracosanoic acid;2-[3-oxobutyl(20-oxohenicosanoyl)amino]acetic acid;(2R,7R)-4-oxo-2-(3-oxobutyl)-7-[2-oxo-2-[4-[(20-oxohenicosanoylamino)methyl]cyclohexyl]ethyl]octanedioic acid
CID 162153876
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
(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
16-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-16-oxohexadecanoic acid
CID 58238722
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
(16R)-16-methoxycarbonyl-14,19-dioxo-19-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]nonadecanoic acid
CID 58339072
18-[[4-[(3R)-3-carboxy-6-oxoheptanoyl]cyclohexyl]methylamino]-18-oxooctadecanoic acid
CID 58249287
20-[[4-[(3R)-6-[2-[2-[2-[2-[2-[2-[[(5S)-6-amino-5-(methylamino)-6-oxohexyl]amino]prop-2-enoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-3-carboxy-6-oxohexanoyl]cyclohexyl]methylamino]-20-oxoicosanoic acid
CID 88881766

Frequently Asked Questions

What is the IUPAC name of 20-[[4-[(3R)-3-carboxy-6-oxo-6-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]hexanoyl]cyclohexyl]methylamino]-20-oxoicosanoic 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]tricosanedioic 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]tricosanedioic acid;(2R)-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]pentacosanedioic 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]tricosanedioic acid?
The IUPAC name of 20-[[4-[(3R)-3-carboxy-6-oxo-6-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]hexanoyl]cyclohexyl]methylamino]-20-oxoicosanoic 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]tricosanedioic 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]tricosanedioic acid;(2R)-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]pentacosanedioic 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]tricosanedioic acid (CID 159327301) is 20-[[4-[(3R)-3-carboxy-6-oxo-6-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]hexanoyl]cyclohexyl]methylamino]-20-oxoicosanoic 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]tricosanedioic 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]tricosanedioic acid;(2R)-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]pentacosanedioic 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]tricosanedioic acid.
What is the SMILES notation for 20-[[4-[(3R)-3-carboxy-6-oxo-6-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]hexanoyl]cyclohexyl]methylamino]-20-oxoicosanoic 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]tricosanedioic 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]tricosanedioic acid;(2R)-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]pentacosanedioic 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]tricosanedioic acid?
The canonical SMILES for 20-[[4-[(3R)-3-carboxy-6-oxo-6-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]hexanoyl]cyclohexyl]methylamino]-20-oxoicosanoic 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]tricosanedioic 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]tricosanedioic acid;(2R)-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]pentacosanedioic 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]tricosanedioic acid is CC(=O)COCCOCCCC(=O)COCCOCCNC(=O)CC[C@H](CC(=O)C1CCC(CNC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)CC1)C(=O)O.CC(=O)COCCOCCCC(=O)COCCOCCNC(=O)CC[C@H](CC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O.CC(=O)COCCOCCCC(=O)COCCOCCNC(=O)CC[C@H](CC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O.CC(=O)COCCOCCCC(=O)COCCOCCNC(=O)COCCOCCCC(=O)COCCOCCNC(=O)CC[C@H](CC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O.CC(=O)COCCOCCNC(=O)CC[C@H](CC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O.CC(=O)COCCOCCNC(=O)COCCOCCCC(=O)COCCOCCNC(=O)CC[C@H](CC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O.
What is the InChIKey of 20-[[4-[(3R)-3-carboxy-6-oxo-6-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]hexanoyl]cyclohexyl]methylamino]-20-oxoicosanoic 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]tricosanedioic 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]tricosanedioic acid;(2R)-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]pentacosanedioic 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]tricosanedioic acid?
The InChIKey is LENIZIAOSOLGBU-WRXRKYIDSA-N. The full InChI is InChI=1S/C53H94N2O18.C48H84N2O13.C46H82N2O15.C42H75NO12.C40H71NO12.C33H59NO9/c1-45(56)41-70-36-32-66-28-18-21-48(58)43-72-38-35-69-31-27-55-51(61)44-73-39-33-67-29-19-22-49(59)42-71-37-34-68-30-26-54-50(60)25-24-46(53(64)65)40-47(57)20-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-23-52(62)63;1-39(51)37-62-33-31-60-29-18-19-43(52)38-63-34-32-61-30-28-49-46(55)27-26-42(48(58)59)35-44(53)41-24-22-40(23-25-41)36-50-45(54)20-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-21-47(56)57;1-39(49)36-61-32-30-60-28-25-48-44(53)38-63-34-29-58-26-18-20-42(51)37-62-33-31-59-27-24-47-43(52)23-22-40(46(56)57)35-41(50)19-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-21-45(54)55;1-36(44)34-54-31-29-52-27-20-22-39(46)35-55-32-30-53-28-26-43-40(47)25-24-37(42(50)51)33-38(45)21-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-23-41(48)49;1-34(42)32-52-29-27-50-25-18-20-37(44)33-53-30-28-51-26-24-41-38(45)23-22-35(40(48)49)31-36(43)19-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-21-39(46)47;1-28(35)27-43-25-24-42-23-22-34-31(37)21-20-29(33(40)41)26-30(36)18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-32(38)39/h46H,2-44H2,1H3,(H,54,60)(H,55,61)(H,62,63)(H,64,65);40-42H,2-38H2,1H3,(H,49,55)(H,50,54)(H,56,57)(H,58,59);40H,2-38H2,1H3,(H,47,52)(H,48,53)(H,54,55)(H,56,57);37H,2-35H2,1H3,(H,43,47)(H,48,49)(H,50,51);35H,2-33H2,1H3,(H,41,45)(H,46,47)(H,48,49);29H,2-27H2,1H3,(H,34,37)(H,38,39)(H,40,41)/t46-;40?,41?,42-;40-;37-;35-;29-/m111111/s1.
What are the key properties of 20-[[4-[(3R)-3-carboxy-6-oxo-6-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]hexanoyl]cyclohexyl]methylamino]-20-oxoicosanoic 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]tricosanedioic 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]tricosanedioic acid;(2R)-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]pentacosanedioic 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]tricosanedioic acid?
20-[[4-[(3R)-3-carboxy-6-oxo-6-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]hexanoyl]cyclohexyl]methylamino]-20-oxoicosanoic 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]tricosanedioic 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]tricosanedioic acid;(2R)-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]pentacosanedioic 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]tricosanedioic acid has a molecular weight of 5005.59 g/mol, XLogP of 39.92, 273 rotatable bonds, 21 hydrogen bond donors, and 67 hydrogen bond acceptors.
Where does this data come from?
All data for 20-[[4-[(3R)-3-carboxy-6-oxo-6-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]hexanoyl]cyclohexyl]methylamino]-20-oxoicosanoic 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]tricosanedioic 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]tricosanedioic acid;(2R)-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]pentacosanedioic 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]tricosanedioic acid is sourced from PubChem (CID 159327301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).