4-[13-[2-[5-[2-[(4R)-4-carboxy-2,7-dioxooctoxy]ethoxy]-2-oxopentoxy]ethoxy]-10-oxotridecoxy]benzoic acid;4-[(11R)-11-carboxy-9,14-dioxo-14-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]tetradecoxy]benzoic acid;4-[(10R)-10-carboxy-8,13-dioxo-13-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]tridecoxy]benzoic acid;4-[10-[2-[2-[(4R)-4-carboxy-2,7-dioxo-10-[2-(2-oxopropoxy)ethoxy]decoxy]ethoxy]ethylamino]-10-oxodecoxy]benzoic acid;(2R)-9-[[(4R)-4-carboxy-6-oxo-9-phenylnonanoyl]amino]-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]nonanoic acid;(2R)-15-[[(4R)-4-carboxy-6-oxo-9-phenylnonanoyl]amino]-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]pentadecanoic acid;4-[10-oxo-10-[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]decoxy]benzoic acid

C280H435N9O96 — CID 159285643

IUPAC4-[13-[2-[5-[2-[(4R)-4-carboxy-2,7-dioxooctoxy]ethoxy]-2-oxopentoxy]ethoxy]-10-oxotridecoxy]benzoic acid;4-[(11R)-11-carboxy-9,14-dioxo-14-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]tetradecoxy]benzoic acid;4-[(10R)-10-carboxy-8,13-dioxo-13-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]tridecoxy]benzoic acid;4-[10-[2-[2-[(4R)-4-carboxy-2,7-dioxo-10-[2-(2-oxopropoxy)ethoxy]decoxy]ethoxy]ethylamino]-10-oxodecoxy]benzoic acid;(2R)-9-[[(4R)-4-carboxy-6-oxo-9-phenylnonanoyl]amino]-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]nonanoic acid;(2R)-15-[[(4R)-4-carboxy-6-oxo-9-phenylnonanoyl]amino]-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]pentadecanoic acid;4-[10-oxo-10-[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]decoxy]benzoic acid
SMILESCC(=O)CC[C@H](CC(=O)COCCOCCCC(=O)COCCOCCCC(=O)CCCCCCCCCOc1ccc(C(=O)O)cc1)C(=O)O.CC(=O)COCCOCCCC(=O)CC[C@H](CC(=O)COCCOCCNC(=O)CCCCCCCCCOc1ccc(C(=O)O)cc1)C(=O)O.CC(=O)COCCOCCCC(=O)COCCOCCNC(=O)CC[C@H](CC(=O)CCCCCCCCCCCNC(=O)CC[C@H](CC(=O)CCCc1ccccc1)C(=O)O)C(=O)O.CC(=O)COCCOCCCC(=O)COCCOCCNC(=O)CC[C@H](CC(=O)CCCCCCCCOc1ccc(C(=O)O)cc1)C(=O)O.CC(=O)COCCOCCCC(=O)COCCOCCNC(=O)CC[C@H](CC(=O)CCCCCCCOc1ccc(C(=O)O)cc1)C(=O)O.CC(=O)COCCOCCCC(=O)COCCOCCNC(=O)CC[C@H](CC(=O)CCCCCNC(=O)CC[C@H](CC(=O)CCCc1ccccc1)C(=O)O)C(=O)O.CC(=O)COCCOCCCC(=O)COCCOCCNC(=O)COCCOCCCC(=O)COCCOCCNC(=O)CCCCCCCCCOc1ccc(C(=O)O)cc1
InChIInChI=1S/C48H76N2O14.C44H72N2O16.C42H64N2O14.C38H58O13.C37H57NO13.C36H55NO13.C35H53NO13/c1-38(51)36-63-32-30-61-28-15-21-44(54)37-64-33-31-62-29-27-50-46(56)25-23-40(47(57)58)34-42(52)19-12-7-5-3-2-4-6-8-13-26-49-45(55)24-22-41(48(59)60)35-43(53)20-14-18-39-16-10-9-11-17-39;1-37(47)33-58-29-25-54-20-9-11-39(48)35-60-31-28-57-24-19-46-43(51)36-61-32-26-55-21-10-12-40(49)34-59-30-27-56-23-18-45-42(50)13-7-5-3-2-4-6-8-22-62-41-16-14-38(15-17-41)44(52)53;1-32(45)30-57-26-24-55-22-9-15-38(48)31-58-27-25-56-23-21-44-40(50)19-17-34(41(51)52)28-36(46)13-6-3-7-20-43-39(49)18-16-35(42(53)54)29-37(47)14-8-12-33-10-4-2-5-11-33;1-30(39)14-15-32(38(45)46)27-35(42)29-50-26-24-48-21-10-13-34(41)28-49-25-23-47-20-9-12-33(40)11-7-5-3-2-4-6-8-22-51-36-18-16-31(17-19-36)37(43)44;1-29(39)27-49-24-22-47-19-9-10-32(40)15-12-31(37(45)46)26-33(41)28-50-25-23-48-21-18-38-35(42)11-7-5-3-2-4-6-8-20-51-34-16-13-30(14-17-34)36(43)44;1-28(38)26-48-23-21-46-18-8-10-32(40)27-49-24-22-47-20-17-37-34(41)16-13-30(36(44)45)25-31(39)9-6-4-2-3-5-7-19-50-33-14-11-29(12-15-33)35(42)43;1-27(37)25-47-22-20-45-17-7-9-31(39)26-48-23-21-46-19-16-36-33(40)15-12-29(35(43)44)24-30(38)8-5-3-2-4-6-18-49-32-13-10-28(11-14-32)34(41)42/h9-11,16-17,40-41H,2-8,12-15,18-37H2,1H3,(H,49,55)(H,50,56)(H,57,58)(H,59,60);14-17H,2-13,18-36H2,1H3,(H,45,50)(H,46,51)(H,52,53);2,4-5,10-11,34-35H,3,6-9,12-31H2,1H3,(H,43,49)(H,44,50)(H,51,52)(H,53,54);16-19,32H,2-15,20-29H2,1H3,(H,43,44)(H,45,46);13-14,16-17,31H,2-12,15,18-28H2,1H3,(H,38,42)(H,43,44)(H,45,46);11-12,14-15,30H,2-10,13,16-27H2,1H3,(H,37,41)(H,42,43)(H,44,45);10-11,13-14,29H,2-9,12,15-26H2,1H3,(H,36,40)(H,41,42)(H,43,44)/t40-,41-;;34-,35-;32-;31-;30-;29-/m1.11111/s1
InChIKeyKZLZJSDKJXWKKS-DRVGMFBNSA-N
MW5463.53 g/mol
LogP31.10
Rot. Bonds268

About 4-[13-[2-[5-[2-[(4R)-4-carboxy-2,7-dioxooctoxy]ethoxy]-2-oxopentoxy]ethoxy]-10-oxotridecoxy]benzoic acid;4-[(11R)-11-carboxy-9,14-dioxo-14-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]tetradecoxy]benzoic acid;4-[(10R)-10-carboxy-8,13-dioxo-13-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]tridecoxy]benzoic acid;4-[10-[2-[2-[(4R)-4-carboxy-2,7-dioxo-10-[2-(2-oxopropoxy)ethoxy]decoxy]ethoxy]ethylamino]-10-oxodecoxy]benzoic acid;(2R)-9-[[(4R)-4-carboxy-6-oxo-9-phenylnonanoyl]amino]-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]nonanoic acid;(2R)-15-[[(4R)-4-carboxy-6-oxo-9-phenylnonanoyl]amino]-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]pentadecanoic acid;4-[10-oxo-10-[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]decoxy]benzoic acid

4-[13-[2-[5-[2-[(4R)-4-carboxy-2,7-dioxooctoxy]ethoxy]-2-oxopentoxy]ethoxy]-10-oxotridecoxy]benzoic acid;4-[(11R)-11-carboxy-9,14-dioxo-14-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]tetradecoxy]benzoic acid;4-[(10R)-10-carboxy-8,13-dioxo-13-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]tridecoxy]benzoic acid;4-[10-[2-[2-[(4R)-4-carboxy-2,7-dioxo-10-[2-(2-oxopropoxy)ethoxy]decoxy]ethoxy]ethylamino]-10-oxodecoxy]benzoic acid;(2R)-9-[[(4R)-4-carboxy-6-oxo-9-phenylnonanoyl]amino]-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]nonanoic acid;(2R)-15-[[(4R)-4-carboxy-6-oxo-9-phenylnonanoyl]amino]-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]pentadecanoic acid;4-[10-oxo-10-[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]decoxy]benzoic acid (PubChem CID 159285643) has the molecular formula C280H435N9O96 and a molecular weight of 5463.53 g/mol. Its IUPAC name is 4-[13-[2-[5-[2-[(4R)-4-carboxy-2,7-dioxooctoxy]ethoxy]-2-oxopentoxy]ethoxy]-10-oxotridecoxy]benzoic acid;4-[(11R)-11-carboxy-9,14-dioxo-14-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]tetradecoxy]benzoic acid;4-[(10R)-10-carboxy-8,13-dioxo-13-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]tridecoxy]benzoic acid;4-[10-[2-[2-[(4R)-4-carboxy-2,7-dioxo-10-[2-(2-oxopropoxy)ethoxy]decoxy]ethoxy]ethylamino]-10-oxodecoxy]benzoic acid;(2R)-9-[[(4R)-4-carboxy-6-oxo-9-phenylnonanoyl]amino]-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]nonanoic acid;(2R)-15-[[(4R)-4-carboxy-6-oxo-9-phenylnonanoyl]amino]-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]pentadecanoic acid;4-[10-oxo-10-[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]decoxy]benzoic acid.

Molecular Properties

Compound Name4-[13-[2-[5-[2-[(4R)-4-carboxy-2,7-dioxooctoxy]ethoxy]-2-oxopentoxy]ethoxy]-10-oxotridecoxy]benzoic acid;4-[(11R)-11-carboxy-9,14-dioxo-14-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]tetradecoxy]benzoic acid;4-[(10R)-10-carboxy-8,13-dioxo-13-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]tridecoxy]benzoic acid;4-[10-[2-[2-[(4R)-4-carboxy-2,7-dioxo-10-[2-(2-oxopropoxy)ethoxy]decoxy]ethoxy]ethylamino]-10-oxodecoxy]benzoic acid;(2R)-9-[[(4R)-4-carboxy-6-oxo-9-phenylnonanoyl]amino]-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]nonanoic acid;(2R)-15-[[(4R)-4-carboxy-6-oxo-9-phenylnonanoyl]amino]-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]pentadecanoic acid;4-[10-oxo-10-[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]decoxy]benzoic acid
PubChem CID159285643
Molecular FormulaC280H435N9O96
Molecular Weight5463.53 g/mol
Exact Mass5459.94
IUPAC Name4-[13-[2-[5-[2-[(4R)-4-carboxy-2,7-dioxooctoxy]ethoxy]-2-oxopentoxy]ethoxy]-10-oxotridecoxy]benzoic acid;4-[(11R)-11-carboxy-9,14-dioxo-14-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]tetradecoxy]benzoic acid;4-[(10R)-10-carboxy-8,13-dioxo-13-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]tridecoxy]benzoic acid;4-[10-[2-[2-[(4R)-4-carboxy-2,7-dioxo-10-[2-(2-oxopropoxy)ethoxy]decoxy]ethoxy]ethylamino]-10-oxodecoxy]benzoic acid;(2R)-9-[[(4R)-4-carboxy-6-oxo-9-phenylnonanoyl]amino]-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]nonanoic acid;(2R)-15-[[(4R)-4-carboxy-6-oxo-9-phenylnonanoyl]amino]-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]pentadecanoic acid;4-[10-oxo-10-[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]decoxy]benzoic acid
SMILESCC(=O)CC[C@H](CC(=O)COCCOCCCC(=O)COCCOCCCC(=O)CCCCCCCCCOc1ccc(C(=O)O)cc1)C(=O)O.CC(=O)COCCOCCCC(=O)CC[C@H](CC(=O)COCCOCCNC(=O)CCCCCCCCCOc1ccc(C(=O)O)cc1)C(=O)O.CC(=O)COCCOCCCC(=O)COCCOCCNC(=O)CC[C@H](CC(=O)CCCCCCCCCCCNC(=O)CC[C@H](CC(=O)CCCc1ccccc1)C(=O)O)C(=O)O.CC(=O)COCCOCCCC(=O)COCCOCCNC(=O)CC[C@H](CC(=O)CCCCCCCCOc1ccc(C(=O)O)cc1)C(=O)O.CC(=O)COCCOCCCC(=O)COCCOCCNC(=O)CC[C@H](CC(=O)CCCCCCCOc1ccc(C(=O)O)cc1)C(=O)O.CC(=O)COCCOCCCC(=O)COCCOCCNC(=O)CC[C@H](CC(=O)CCCCCNC(=O)CC[C@H](CC(=O)CCCc1ccccc1)C(=O)O)C(=O)O.CC(=O)COCCOCCCC(=O)COCCOCCNC(=O)COCCOCCCC(=O)COCCOCCNC(=O)CCCCCCCCCOc1ccc(C(=O)O)cc1
InChIInChI=1S/C48H76N2O14.C44H72N2O16.C42H64N2O14.C38H58O13.C37H57NO13.C36H55NO13.C35H53NO13/c1-38(51)36-63-32-30-61-28-15-21-44(54)37-64-33-31-62-29-27-50-46(56)25-23-40(47(57)58)34-42(52)19-12-7-5-3-2-4-6-8-13-26-49-45(55)24-22-41(48(59)60)35-43(53)20-14-18-39-16-10-9-11-17-39;1-37(47)33-58-29-25-54-20-9-11-39(48)35-60-31-28-57-24-19-46-43(51)36-61-32-26-55-21-10-12-40(49)34-59-30-27-56-23-18-45-42(50)13-7-5-3-2-4-6-8-22-62-41-16-14-38(15-17-41)44(52)53;1-32(45)30-57-26-24-55-22-9-15-38(48)31-58-27-25-56-23-21-44-40(50)19-17-34(41(51)52)28-36(46)13-6-3-7-20-43-39(49)18-16-35(42(53)54)29-37(47)14-8-12-33-10-4-2-5-11-33;1-30(39)14-15-32(38(45)46)27-35(42)29-50-26-24-48-21-10-13-34(41)28-49-25-23-47-20-9-12-33(40)11-7-5-3-2-4-6-8-22-51-36-18-16-31(17-19-36)37(43)44;1-29(39)27-49-24-22-47-19-9-10-32(40)15-12-31(37(45)46)26-33(41)28-50-25-23-48-21-18-38-35(42)11-7-5-3-2-4-6-8-20-51-34-16-13-30(14-17-34)36(43)44;1-28(38)26-48-23-21-46-18-8-10-32(40)27-49-24-22-47-20-17-37-34(41)16-13-30(36(44)45)25-31(39)9-6-4-2-3-5-7-19-50-33-14-11-29(12-15-33)35(42)43;1-27(37)25-47-22-20-45-17-7-9-31(39)26-48-23-21-46-19-16-36-33(40)15-12-29(35(43)44)24-30(38)8-5-3-2-4-6-18-49-32-13-10-28(11-14-32)34(41)42/h9-11,16-17,40-41H,2-8,12-15,18-37H2,1H3,(H,49,55)(H,50,56)(H,57,58)(H,59,60);14-17H,2-13,18-36H2,1H3,(H,45,50)(H,46,51)(H,52,53);2,4-5,10-11,34-35H,3,6-9,12-31H2,1H3,(H,43,49)(H,44,50)(H,51,52)(H,53,54);16-19,32H,2-15,20-29H2,1H3,(H,43,44)(H,45,46);13-14,16-17,31H,2-12,15,18-28H2,1H3,(H,38,42)(H,43,44)(H,45,46);11-12,14-15,30H,2-10,13,16-27H2,1H3,(H,37,41)(H,42,43)(H,44,45);10-11,13-14,29H,2-9,12,15-26H2,1H3,(H,36,40)(H,41,42)(H,43,44)/t40-,41-;;34-,35-;32-;31-;30-;29-/m1.11111/s1
InChIKeyKZLZJSDKJXWKKS-DRVGMFBNSA-N
XLogP31.10
TPSA1497.99 Ų
H-Bond Donors22
H-Bond Acceptors83
Rotatable Bonds268
Heavy Atoms385
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005463.53
LogP ≤ 531.10
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1083

Analyze 4-[13-[2-[5-[2-[(4R)-4-carboxy-2,7-dioxooctoxy]ethoxy]-2-oxopentoxy]ethoxy]-10-oxotridecoxy]benzoic acid;4-[(11R)-11-carboxy-9,14-dioxo-14-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]tetradecoxy]benzoic acid;4-[(10R)-10-carboxy-8,13-dioxo-13-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]tridecoxy]benzoic acid;4-[10-[2-[2-[(4R)-4-carboxy-2,7-dioxo-10-[2-(2-oxopropoxy)ethoxy]decoxy]ethoxy]ethylamino]-10-oxodecoxy]benzoic acid;(2R)-9-[[(4R)-4-carboxy-6-oxo-9-phenylnonanoyl]amino]-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]nonanoic acid;(2R)-15-[[(4R)-4-carboxy-6-oxo-9-phenylnonanoyl]amino]-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]pentadecanoic acid;4-[10-oxo-10-[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]decoxy]benzoic acid with MolForge

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Launch Full Analysis

Related Compounds

4-[10-[2-[2-[5-[2-[(4R)-4-carboxy-2,7-dioxooctoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-10-oxodecoxy]benzoic acid
CID 58339025
4-[(12R)-12-carboxy-10,15-dioxo-15-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]pentadecoxy]benzoic acid;4-[(12R)-12-carboxy-10,15-dioxo-18-[2-(2-oxopropoxy)ethoxy]octadecoxy]benzoic acid;4-[(14R)-14-carboxy-17-[2-(2-ethoxyethoxy)ethylamino]-12,17-dioxoheptadecoxy]benzoic acid;4-[(18R)-18-carboxy-21-(2-methoxyethylamino)-16,21-dioxohenicosoxy]benzoic acid;(2R)-7-(4-iodophenyl)-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]heptanoic acid;4-[10-oxo-13-[2-(2-oxopropoxy)ethoxy]tridecoxy]benzoic acid;5-[2-(2-oxopropoxy)ethoxy]pentan-2-one;5-[2-(2-oxopropoxy)ethoxy]-1-propoxypentan-2-one
CID 159669850
4-[(10R)-10-carboxy-8,13-dioxo-13-[2-[2-[2-oxo-5-[2-[2-oxo-2-(propylamino)ethoxy]ethoxy]pentoxy]ethoxy]ethylamino]tridecoxy]benzoic acid
CID 58338990
4-[(12R)-12-carboxy-15-[2-[2-[5-(2-ethoxyethoxy)-2-oxopentoxy]ethoxy]ethylamino]-10,15-dioxopentadecoxy]benzoic acid
CID 158737438
3-[(11R)-11-carboxy-9,14-dioxo-14-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]tetradecoxy]benzoic acid
CID 157398356
4-[(12R)-15-[2-[2-[5-[2-[2-[[(5R,9R)-9-acetyl-13-[[2-[2-[2-[[2-[2-[(7S)-7-carboxy-7-[10-(4-carboxyphenoxy)decanoylamino]-4-oxoheptoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-5-(3,3-dimethyl-2-oxobutyl)-6-oxotridecyl]amino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-12-carboxy-10,15-dioxopentadecoxy]benzoic acid
CID 157346635
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
4-[(12R)-15-[2-[2-[5-[2-[2-[[(5R,9R)-5-acetyl-9-[4-[[2-[2-[2-[[2-[2-[2-[[(4S)-4-carboxy-4-[10-(4-carboxyphenoxy)decanoylamino]butanoyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]butyl]-12,12-dimethyl-8,11-dioxotridecyl]amino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-12-carboxy-10,15-dioxopentadecoxy]benzoic acid
CID 161218715
4-[(12R)-15-[2-[2-[5-[2-[2-[[(5R,8R)-8-acetyl-5-(3-amino-3-methyl-2-oxobutyl)-12-[[2-[2-[2-[[2-[2-[(7S)-7-carboxy-7-[10-(4-carboxyphenoxy)decanoylamino]-4-oxoheptoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-6-oxododecyl]amino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-12-carboxy-10,15-dioxopentadecoxy]benzoic acid
CID 159519928
(2R)-2-[3-[2-[2-[5-[2-[2-[[(5S,8R)-8-acetyl-12-[[2-[2-[2-[[2-[2-[(7S)-7-carboxy-7-[6-[[(4S)-4-carboxy-4-(6-phenylhexanoylamino)butanoyl]amino]hexanoylamino]-4-oxoheptoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-5-methyl-6-oxododecyl]amino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-3-oxopropyl]-9-[[(4S)-4-carboxy-4-(6-phenylhexanoylamino)butanoyl]amino]-4-oxononanoic acid
CID 159110742
(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
4-[10-[[(1S)-7-[2-[2-[2-[2-[2-[[(5R,8S)-5-acetyl-12-[[2-[2-[5-[2-[2-[[(4S)-4-carboxy-4-[10-(4-carboxyphenoxy)decanoylamino]butanoyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetyl]amino]-8-methyl-7-oxododecyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-1-carboxy-4-oxoheptyl]amino]-10-oxodecoxy]benzoic acid
CID 161261014

Frequently Asked Questions

What is the IUPAC name of 4-[13-[2-[5-[2-[(4R)-4-carboxy-2,7-dioxooctoxy]ethoxy]-2-oxopentoxy]ethoxy]-10-oxotridecoxy]benzoic acid;4-[(11R)-11-carboxy-9,14-dioxo-14-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]tetradecoxy]benzoic acid;4-[(10R)-10-carboxy-8,13-dioxo-13-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]tridecoxy]benzoic acid;4-[10-[2-[2-[(4R)-4-carboxy-2,7-dioxo-10-[2-(2-oxopropoxy)ethoxy]decoxy]ethoxy]ethylamino]-10-oxodecoxy]benzoic acid;(2R)-9-[[(4R)-4-carboxy-6-oxo-9-phenylnonanoyl]amino]-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]nonanoic acid;(2R)-15-[[(4R)-4-carboxy-6-oxo-9-phenylnonanoyl]amino]-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]pentadecanoic acid;4-[10-oxo-10-[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]decoxy]benzoic acid?
The IUPAC name of 4-[13-[2-[5-[2-[(4R)-4-carboxy-2,7-dioxooctoxy]ethoxy]-2-oxopentoxy]ethoxy]-10-oxotridecoxy]benzoic acid;4-[(11R)-11-carboxy-9,14-dioxo-14-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]tetradecoxy]benzoic acid;4-[(10R)-10-carboxy-8,13-dioxo-13-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]tridecoxy]benzoic acid;4-[10-[2-[2-[(4R)-4-carboxy-2,7-dioxo-10-[2-(2-oxopropoxy)ethoxy]decoxy]ethoxy]ethylamino]-10-oxodecoxy]benzoic acid;(2R)-9-[[(4R)-4-carboxy-6-oxo-9-phenylnonanoyl]amino]-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]nonanoic acid;(2R)-15-[[(4R)-4-carboxy-6-oxo-9-phenylnonanoyl]amino]-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]pentadecanoic acid;4-[10-oxo-10-[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]decoxy]benzoic acid (CID 159285643) is 4-[13-[2-[5-[2-[(4R)-4-carboxy-2,7-dioxooctoxy]ethoxy]-2-oxopentoxy]ethoxy]-10-oxotridecoxy]benzoic acid;4-[(11R)-11-carboxy-9,14-dioxo-14-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]tetradecoxy]benzoic acid;4-[(10R)-10-carboxy-8,13-dioxo-13-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]tridecoxy]benzoic acid;4-[10-[2-[2-[(4R)-4-carboxy-2,7-dioxo-10-[2-(2-oxopropoxy)ethoxy]decoxy]ethoxy]ethylamino]-10-oxodecoxy]benzoic acid;(2R)-9-[[(4R)-4-carboxy-6-oxo-9-phenylnonanoyl]amino]-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]nonanoic acid;(2R)-15-[[(4R)-4-carboxy-6-oxo-9-phenylnonanoyl]amino]-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]pentadecanoic acid;4-[10-oxo-10-[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]decoxy]benzoic acid.
What is the SMILES notation for 4-[13-[2-[5-[2-[(4R)-4-carboxy-2,7-dioxooctoxy]ethoxy]-2-oxopentoxy]ethoxy]-10-oxotridecoxy]benzoic acid;4-[(11R)-11-carboxy-9,14-dioxo-14-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]tetradecoxy]benzoic acid;4-[(10R)-10-carboxy-8,13-dioxo-13-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]tridecoxy]benzoic acid;4-[10-[2-[2-[(4R)-4-carboxy-2,7-dioxo-10-[2-(2-oxopropoxy)ethoxy]decoxy]ethoxy]ethylamino]-10-oxodecoxy]benzoic acid;(2R)-9-[[(4R)-4-carboxy-6-oxo-9-phenylnonanoyl]amino]-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]nonanoic acid;(2R)-15-[[(4R)-4-carboxy-6-oxo-9-phenylnonanoyl]amino]-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]pentadecanoic acid;4-[10-oxo-10-[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]decoxy]benzoic acid?
The canonical SMILES for 4-[13-[2-[5-[2-[(4R)-4-carboxy-2,7-dioxooctoxy]ethoxy]-2-oxopentoxy]ethoxy]-10-oxotridecoxy]benzoic acid;4-[(11R)-11-carboxy-9,14-dioxo-14-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]tetradecoxy]benzoic acid;4-[(10R)-10-carboxy-8,13-dioxo-13-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]tridecoxy]benzoic acid;4-[10-[2-[2-[(4R)-4-carboxy-2,7-dioxo-10-[2-(2-oxopropoxy)ethoxy]decoxy]ethoxy]ethylamino]-10-oxodecoxy]benzoic acid;(2R)-9-[[(4R)-4-carboxy-6-oxo-9-phenylnonanoyl]amino]-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]nonanoic acid;(2R)-15-[[(4R)-4-carboxy-6-oxo-9-phenylnonanoyl]amino]-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]pentadecanoic acid;4-[10-oxo-10-[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]decoxy]benzoic acid is CC(=O)CC[C@H](CC(=O)COCCOCCCC(=O)COCCOCCCC(=O)CCCCCCCCCOc1ccc(C(=O)O)cc1)C(=O)O.CC(=O)COCCOCCCC(=O)CC[C@H](CC(=O)COCCOCCNC(=O)CCCCCCCCCOc1ccc(C(=O)O)cc1)C(=O)O.CC(=O)COCCOCCCC(=O)COCCOCCNC(=O)CC[C@H](CC(=O)CCCCCCCCCCCNC(=O)CC[C@H](CC(=O)CCCc1ccccc1)C(=O)O)C(=O)O.CC(=O)COCCOCCCC(=O)COCCOCCNC(=O)CC[C@H](CC(=O)CCCCCCCCOc1ccc(C(=O)O)cc1)C(=O)O.CC(=O)COCCOCCCC(=O)COCCOCCNC(=O)CC[C@H](CC(=O)CCCCCCCOc1ccc(C(=O)O)cc1)C(=O)O.CC(=O)COCCOCCCC(=O)COCCOCCNC(=O)CC[C@H](CC(=O)CCCCCNC(=O)CC[C@H](CC(=O)CCCc1ccccc1)C(=O)O)C(=O)O.CC(=O)COCCOCCCC(=O)COCCOCCNC(=O)COCCOCCCC(=O)COCCOCCNC(=O)CCCCCCCCCOc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[13-[2-[5-[2-[(4R)-4-carboxy-2,7-dioxooctoxy]ethoxy]-2-oxopentoxy]ethoxy]-10-oxotridecoxy]benzoic acid;4-[(11R)-11-carboxy-9,14-dioxo-14-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]tetradecoxy]benzoic acid;4-[(10R)-10-carboxy-8,13-dioxo-13-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]tridecoxy]benzoic acid;4-[10-[2-[2-[(4R)-4-carboxy-2,7-dioxo-10-[2-(2-oxopropoxy)ethoxy]decoxy]ethoxy]ethylamino]-10-oxodecoxy]benzoic acid;(2R)-9-[[(4R)-4-carboxy-6-oxo-9-phenylnonanoyl]amino]-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]nonanoic acid;(2R)-15-[[(4R)-4-carboxy-6-oxo-9-phenylnonanoyl]amino]-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]pentadecanoic acid;4-[10-oxo-10-[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]decoxy]benzoic acid?
The InChIKey is KZLZJSDKJXWKKS-DRVGMFBNSA-N. The full InChI is InChI=1S/C48H76N2O14.C44H72N2O16.C42H64N2O14.C38H58O13.C37H57NO13.C36H55NO13.C35H53NO13/c1-38(51)36-63-32-30-61-28-15-21-44(54)37-64-33-31-62-29-27-50-46(56)25-23-40(47(57)58)34-42(52)19-12-7-5-3-2-4-6-8-13-26-49-45(55)24-22-41(48(59)60)35-43(53)20-14-18-39-16-10-9-11-17-39;1-37(47)33-58-29-25-54-20-9-11-39(48)35-60-31-28-57-24-19-46-43(51)36-61-32-26-55-21-10-12-40(49)34-59-30-27-56-23-18-45-42(50)13-7-5-3-2-4-6-8-22-62-41-16-14-38(15-17-41)44(52)53;1-32(45)30-57-26-24-55-22-9-15-38(48)31-58-27-25-56-23-21-44-40(50)19-17-34(41(51)52)28-36(46)13-6-3-7-20-43-39(49)18-16-35(42(53)54)29-37(47)14-8-12-33-10-4-2-5-11-33;1-30(39)14-15-32(38(45)46)27-35(42)29-50-26-24-48-21-10-13-34(41)28-49-25-23-47-20-9-12-33(40)11-7-5-3-2-4-6-8-22-51-36-18-16-31(17-19-36)37(43)44;1-29(39)27-49-24-22-47-19-9-10-32(40)15-12-31(37(45)46)26-33(41)28-50-25-23-48-21-18-38-35(42)11-7-5-3-2-4-6-8-20-51-34-16-13-30(14-17-34)36(43)44;1-28(38)26-48-23-21-46-18-8-10-32(40)27-49-24-22-47-20-17-37-34(41)16-13-30(36(44)45)25-31(39)9-6-4-2-3-5-7-19-50-33-14-11-29(12-15-33)35(42)43;1-27(37)25-47-22-20-45-17-7-9-31(39)26-48-23-21-46-19-16-36-33(40)15-12-29(35(43)44)24-30(38)8-5-3-2-4-6-18-49-32-13-10-28(11-14-32)34(41)42/h9-11,16-17,40-41H,2-8,12-15,18-37H2,1H3,(H,49,55)(H,50,56)(H,57,58)(H,59,60);14-17H,2-13,18-36H2,1H3,(H,45,50)(H,46,51)(H,52,53);2,4-5,10-11,34-35H,3,6-9,12-31H2,1H3,(H,43,49)(H,44,50)(H,51,52)(H,53,54);16-19,32H,2-15,20-29H2,1H3,(H,43,44)(H,45,46);13-14,16-17,31H,2-12,15,18-28H2,1H3,(H,38,42)(H,43,44)(H,45,46);11-12,14-15,30H,2-10,13,16-27H2,1H3,(H,37,41)(H,42,43)(H,44,45);10-11,13-14,29H,2-9,12,15-26H2,1H3,(H,36,40)(H,41,42)(H,43,44)/t40-,41-;;34-,35-;32-;31-;30-;29-/m1.11111/s1.
What are the key properties of 4-[13-[2-[5-[2-[(4R)-4-carboxy-2,7-dioxooctoxy]ethoxy]-2-oxopentoxy]ethoxy]-10-oxotridecoxy]benzoic acid;4-[(11R)-11-carboxy-9,14-dioxo-14-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]tetradecoxy]benzoic acid;4-[(10R)-10-carboxy-8,13-dioxo-13-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]tridecoxy]benzoic acid;4-[10-[2-[2-[(4R)-4-carboxy-2,7-dioxo-10-[2-(2-oxopropoxy)ethoxy]decoxy]ethoxy]ethylamino]-10-oxodecoxy]benzoic acid;(2R)-9-[[(4R)-4-carboxy-6-oxo-9-phenylnonanoyl]amino]-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]nonanoic acid;(2R)-15-[[(4R)-4-carboxy-6-oxo-9-phenylnonanoyl]amino]-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]pentadecanoic acid;4-[10-oxo-10-[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]decoxy]benzoic acid?
4-[13-[2-[5-[2-[(4R)-4-carboxy-2,7-dioxooctoxy]ethoxy]-2-oxopentoxy]ethoxy]-10-oxotridecoxy]benzoic acid;4-[(11R)-11-carboxy-9,14-dioxo-14-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]tetradecoxy]benzoic acid;4-[(10R)-10-carboxy-8,13-dioxo-13-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]tridecoxy]benzoic acid;4-[10-[2-[2-[(4R)-4-carboxy-2,7-dioxo-10-[2-(2-oxopropoxy)ethoxy]decoxy]ethoxy]ethylamino]-10-oxodecoxy]benzoic acid;(2R)-9-[[(4R)-4-carboxy-6-oxo-9-phenylnonanoyl]amino]-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]nonanoic acid;(2R)-15-[[(4R)-4-carboxy-6-oxo-9-phenylnonanoyl]amino]-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]pentadecanoic acid;4-[10-oxo-10-[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]decoxy]benzoic acid has a molecular weight of 5463.53 g/mol, XLogP of 31.10, 268 rotatable bonds, 22 hydrogen bond donors, and 83 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[13-[2-[5-[2-[(4R)-4-carboxy-2,7-dioxooctoxy]ethoxy]-2-oxopentoxy]ethoxy]-10-oxotridecoxy]benzoic acid;4-[(11R)-11-carboxy-9,14-dioxo-14-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]tetradecoxy]benzoic acid;4-[(10R)-10-carboxy-8,13-dioxo-13-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]tridecoxy]benzoic acid;4-[10-[2-[2-[(4R)-4-carboxy-2,7-dioxo-10-[2-(2-oxopropoxy)ethoxy]decoxy]ethoxy]ethylamino]-10-oxodecoxy]benzoic acid;(2R)-9-[[(4R)-4-carboxy-6-oxo-9-phenylnonanoyl]amino]-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]nonanoic acid;(2R)-15-[[(4R)-4-carboxy-6-oxo-9-phenylnonanoyl]amino]-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]pentadecanoic acid;4-[10-oxo-10-[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]decoxy]benzoic acid is sourced from PubChem (CID 159285643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).