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

C209H327IN4O66 — CID 159669850

IUPAC4-[(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
SMILESCC(=O)CCCOCCOCC(C)=O.CC(=O)COCCOCCCC(=O)CCCCCCCCCOc1ccc(C(=O)O)cc1.CC(=O)COCCOCCCC(=O)CC[C@H](CC(=O)CCCCCCCCCOc1ccc(C(=O)O)cc1)C(=O)O.CC(=O)COCCOCCCC(=O)COCCOCCNC(=O)CC[C@H](CC(=O)CCCCCCCCCOc1ccc(C(=O)O)cc1)C(=O)O.CC(=O)COCCOCCCC(=O)COCCOCCNC(=O)CC[C@H](CC(=O)CCCc1ccc(I)cc1)C(=O)O.CCCOCC(=O)CCCOCCOCC(C)=O.CCOCCOCCNC(=O)CC[C@H](CC(=O)CCCCCCCCCCCOc1ccc(C(=O)O)cc1)C(=O)O.COCCNC(=O)CC[C@H](CC(=O)CCCCCCCCCCCCCCCOc1ccc(C(=O)O)cc1)C(=O)O
InChIInChI=1S/C37H57NO13.C32H51NO8.C31H49NO9.C31H46O10.C30H44INO10.C25H38O7.C13H24O5.C10H18O4/c1-29(39)27-49-24-22-47-19-9-11-33(41)28-50-25-23-48-21-18-38-35(42)17-14-31(37(45)46)26-32(40)10-7-5-3-2-4-6-8-20-51-34-15-12-30(13-16-34)36(43)44;1-40-24-22-33-30(35)21-18-27(32(38)39)25-28(34)15-13-11-9-7-5-3-2-4-6-8-10-12-14-23-41-29-19-16-26(17-20-29)31(36)37;1-2-39-22-23-40-21-19-32-29(34)18-15-26(31(37)38)24-27(33)12-10-8-6-4-3-5-7-9-11-20-41-28-16-13-25(14-17-28)30(35)36;1-24(32)23-40-21-20-39-18-9-11-27(33)15-12-26(31(37)38)22-28(34)10-7-5-3-2-4-6-8-19-41-29-16-13-25(14-17-29)30(35)36;1-23(33)21-41-18-16-39-14-3-6-28(35)22-42-19-17-40-15-13-32-29(36)12-9-25(30(37)38)20-27(34)5-2-4-24-7-10-26(31)11-8-24;1-21(26)20-31-19-18-30-16-9-11-23(27)10-7-5-3-2-4-6-8-17-32-24-14-12-22(13-15-24)25(28)29;1-3-6-17-11-13(15)5-4-7-16-8-9-18-10-12(2)14;1-9(11)4-3-5-13-6-7-14-8-10(2)12/h12-13,15-16,31H,2-11,14,17-28H2,1H3,(H,38,42)(H,43,44)(H,45,46);16-17,19-20,27H,2-15,18,21-25H2,1H3,(H,33,35)(H,36,37)(H,38,39);13-14,16-17,26H,2-12,15,18-24H2,1H3,(H,32,34)(H,35,36)(H,37,38);13-14,16-17,26H,2-12,15,18-23H2,1H3,(H,35,36)(H,37,38);7-8,10-11,25H,2-6,9,12-22H2,1H3,(H,32,36)(H,37,38);12-15H,2-11,16-20H2,1H3,(H,28,29);3-11H2,1-2H3;3-8H2,1-2H3/t31-;27-;2*26-;25-;;;/m11111.../s1
InChIKeyMTWBNOVGTKEOJR-FITZZLJTSA-N
MW4078.78 g/mol
LogP31.84
Rot. Bonds186

About 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

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 (PubChem CID 159669850) has the molecular formula C209H327IN4O66 and a molecular weight of 4078.78 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[(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
PubChem CID159669850
Molecular FormulaC209H327IN4O66
Molecular Weight4078.78 g/mol
Exact Mass4076.14
IUPAC Name4-[(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
SMILESCC(=O)CCCOCCOCC(C)=O.CC(=O)COCCOCCCC(=O)CCCCCCCCCOc1ccc(C(=O)O)cc1.CC(=O)COCCOCCCC(=O)CC[C@H](CC(=O)CCCCCCCCCOc1ccc(C(=O)O)cc1)C(=O)O.CC(=O)COCCOCCCC(=O)COCCOCCNC(=O)CC[C@H](CC(=O)CCCCCCCCCOc1ccc(C(=O)O)cc1)C(=O)O.CC(=O)COCCOCCCC(=O)COCCOCCNC(=O)CC[C@H](CC(=O)CCCc1ccc(I)cc1)C(=O)O.CCCOCC(=O)CCCOCCOCC(C)=O.CCOCCOCCNC(=O)CC[C@H](CC(=O)CCCCCCCCCCCOc1ccc(C(=O)O)cc1)C(=O)O.COCCNC(=O)CC[C@H](CC(=O)CCCCCCCCCCCCCCCOc1ccc(C(=O)O)cc1)C(=O)O
InChIInChI=1S/C37H57NO13.C32H51NO8.C31H49NO9.C31H46O10.C30H44INO10.C25H38O7.C13H24O5.C10H18O4/c1-29(39)27-49-24-22-47-19-9-11-33(41)28-50-25-23-48-21-18-38-35(42)17-14-31(37(45)46)26-32(40)10-7-5-3-2-4-6-8-20-51-34-15-12-30(13-16-34)36(43)44;1-40-24-22-33-30(35)21-18-27(32(38)39)25-28(34)15-13-11-9-7-5-3-2-4-6-8-10-12-14-23-41-29-19-16-26(17-20-29)31(36)37;1-2-39-22-23-40-21-19-32-29(34)18-15-26(31(37)38)24-27(33)12-10-8-6-4-3-5-7-9-11-20-41-28-16-13-25(14-17-28)30(35)36;1-24(32)23-40-21-20-39-18-9-11-27(33)15-12-26(31(37)38)22-28(34)10-7-5-3-2-4-6-8-19-41-29-16-13-25(14-17-29)30(35)36;1-23(33)21-41-18-16-39-14-3-6-28(35)22-42-19-17-40-15-13-32-29(36)12-9-25(30(37)38)20-27(34)5-2-4-24-7-10-26(31)11-8-24;1-21(26)20-31-19-18-30-16-9-11-23(27)10-7-5-3-2-4-6-8-17-32-24-14-12-22(13-15-24)25(28)29;1-3-6-17-11-13(15)5-4-7-16-8-9-18-10-12(2)14;1-9(11)4-3-5-13-6-7-14-8-10(2)12/h12-13,15-16,31H,2-11,14,17-28H2,1H3,(H,38,42)(H,43,44)(H,45,46);16-17,19-20,27H,2-15,18,21-25H2,1H3,(H,33,35)(H,36,37)(H,38,39);13-14,16-17,26H,2-12,15,18-24H2,1H3,(H,32,34)(H,35,36)(H,37,38);13-14,16-17,26H,2-12,15,18-23H2,1H3,(H,35,36)(H,37,38);7-8,10-11,25H,2-6,9,12-22H2,1H3,(H,32,36)(H,37,38);12-15H,2-11,16-20H2,1H3,(H,28,29);3-11H2,1-2H3;3-8H2,1-2H3/t31-;27-;2*26-;25-;;;/m11111.../s1
InChIKeyMTWBNOVGTKEOJR-FITZZLJTSA-N
XLogP31.84
TPSA1010.34 Ų
H-Bond Donors14
H-Bond Acceptors56
Rotatable Bonds186
Heavy Atoms280
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004078.78
LogP ≤ 531.84
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1056

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
4-[(12R)-12-carboxy-15-[2-[2-[5-(2-ethoxyethoxy)-2-oxopentoxy]ethoxy]ethylamino]-10,15-dioxopentadecoxy]benzoic acid
CID 158737438
4-[10-[2-[2-[5-[2-[(4R)-4-carboxy-2,7-dioxooctoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-10-oxodecoxy]benzoic acid
CID 58339025
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
(2R)-7-(4-iodophenyl)-4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-[2-oxo-2-(propylamino)ethoxy]ethoxy]pentoxy]ethoxy]ethylamino]propyl]heptanoic acid
CID 58338993
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
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)-6-[(2-bromoacetyl)amino]-2-[[2-(2-ethoxyethoxy)acetyl]amino]hexanoic acid;N-(5-bromo-4-oxopentyl)-2-(2-ethoxyethoxy)acetamide;4-[15-oxo-15-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]pentadecoxy]benzoic acid;(2R)-4-oxo-2-[3-oxo-3-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]propyl]henicosanedioic acid
CID 159894916
(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)-6-[(2-bromoacetyl)amino]-2-[[2-(2-propoxyethoxy)acetyl]amino]hexanoic acid;N-(5-bromo-4-oxopentyl)-2-(2-propoxyethoxy)acetamide;4-[15-oxo-15-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]pentadecoxy]benzoic acid;(2R)-4-oxo-2-[3-oxo-3-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]propyl]henicosanedioic acid
CID 157050520

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)CCCOCCOCC(C)=O.CC(=O)COCCOCCCC(=O)CCCCCCCCCOc1ccc(C(=O)O)cc1.CC(=O)COCCOCCCC(=O)CC[C@H](CC(=O)CCCCCCCCCOc1ccc(C(=O)O)cc1)C(=O)O.CC(=O)COCCOCCCC(=O)COCCOCCNC(=O)CC[C@H](CC(=O)CCCCCCCCCOc1ccc(C(=O)O)cc1)C(=O)O.CC(=O)COCCOCCCC(=O)COCCOCCNC(=O)CC[C@H](CC(=O)CCCc1ccc(I)cc1)C(=O)O.CCCOCC(=O)CCCOCCOCC(C)=O.CCOCCOCCNC(=O)CC[C@H](CC(=O)CCCCCCCCCCCOc1ccc(C(=O)O)cc1)C(=O)O.COCCNC(=O)CC[C@H](CC(=O)CCCCCCCCCCCCCCCOc1ccc(C(=O)O)cc1)C(=O)O.
What is the InChIKey of 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?
The InChIKey is MTWBNOVGTKEOJR-FITZZLJTSA-N. The full InChI is InChI=1S/C37H57NO13.C32H51NO8.C31H49NO9.C31H46O10.C30H44INO10.C25H38O7.C13H24O5.C10H18O4/c1-29(39)27-49-24-22-47-19-9-11-33(41)28-50-25-23-48-21-18-38-35(42)17-14-31(37(45)46)26-32(40)10-7-5-3-2-4-6-8-20-51-34-15-12-30(13-16-34)36(43)44;1-40-24-22-33-30(35)21-18-27(32(38)39)25-28(34)15-13-11-9-7-5-3-2-4-6-8-10-12-14-23-41-29-19-16-26(17-20-29)31(36)37;1-2-39-22-23-40-21-19-32-29(34)18-15-26(31(37)38)24-27(33)12-10-8-6-4-3-5-7-9-11-20-41-28-16-13-25(14-17-28)30(35)36;1-24(32)23-40-21-20-39-18-9-11-27(33)15-12-26(31(37)38)22-28(34)10-7-5-3-2-4-6-8-19-41-29-16-13-25(14-17-29)30(35)36;1-23(33)21-41-18-16-39-14-3-6-28(35)22-42-19-17-40-15-13-32-29(36)12-9-25(30(37)38)20-27(34)5-2-4-24-7-10-26(31)11-8-24;1-21(26)20-31-19-18-30-16-9-11-23(27)10-7-5-3-2-4-6-8-17-32-24-14-12-22(13-15-24)25(28)29;1-3-6-17-11-13(15)5-4-7-16-8-9-18-10-12(2)14;1-9(11)4-3-5-13-6-7-14-8-10(2)12/h12-13,15-16,31H,2-11,14,17-28H2,1H3,(H,38,42)(H,43,44)(H,45,46);16-17,19-20,27H,2-15,18,21-25H2,1H3,(H,33,35)(H,36,37)(H,38,39);13-14,16-17,26H,2-12,15,18-24H2,1H3,(H,32,34)(H,35,36)(H,37,38);13-14,16-17,26H,2-12,15,18-23H2,1H3,(H,35,36)(H,37,38);7-8,10-11,25H,2-6,9,12-22H2,1H3,(H,32,36)(H,37,38);12-15H,2-11,16-20H2,1H3,(H,28,29);3-11H2,1-2H3;3-8H2,1-2H3/t31-;27-;2*26-;25-;;;/m11111.../s1.
What are the key properties of 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?
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 has a molecular weight of 4078.78 g/mol, XLogP of 31.84, 186 rotatable bonds, 14 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159669850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).