2-[[2-[2-[5-[(2-amino-3,5-dimethylbenzoyl)amino]-4-oxopentoxy]ethoxy]acetyl]amino]-6-[[4-(3-methylsulfanyl-4a,5,6,6a,10a,11a-hexahydrobenzo[b][1]benzothiepin-5-yl)piperazine-1-carbonyl]amino]hexanoic acid;2-[4-[4-[[2-[[1-carboxy-5-[[2-[4-[4-(2-carboxyanilino)-3-methoxyphenyl]-2-methoxyanilino]benzoyl]amino]pentyl]carbamoyl]phenyl]methyl]-3-methoxyphenyl]-2-methoxyanilino]benzoic acid;6-[[3-[4-(2-methylbutan-2-yl)phenoxy]benzoyl]amino]-2-[[2-[2-[5-[[3-[4-(2-methylbutan-2-yl)phenoxy]benzoyl]amino]-4-oxopentoxy]ethoxy]acetyl]amino]hexanoic acid

C158H186N14O30S2 — CID 159510510

IUPAC2-[[2-[2-[5-[(2-amino-3,5-dimethylbenzoyl)amino]-4-oxopentoxy]ethoxy]acetyl]amino]-6-[[4-(3-methylsulfanyl-4a,5,6,6a,10a,11a-hexahydrobenzo[b][1]benzothiepin-5-yl)piperazine-1-carbonyl]amino]hexanoic acid;2-[4-[4-[[2-[[1-carboxy-5-[[2-[4-[4-(2-carboxyanilino)-3-methoxyphenyl]-2-methoxyanilino]benzoyl]amino]pentyl]carbamoyl]phenyl]methyl]-3-methoxyphenyl]-2-methoxyanilino]benzoic acid;6-[[3-[4-(2-methylbutan-2-yl)phenoxy]benzoyl]amino]-2-[[2-[2-[5-[[3-[4-(2-methylbutan-2-yl)phenoxy]benzoyl]amino]-4-oxopentoxy]ethoxy]acetyl]amino]hexanoic acid
SMILESCCC(C)(C)c1ccc(Oc2cccc(C(=O)NCCCCC(NC(=O)COCCOCCCC(=O)CNC(=O)c3cccc(Oc4ccc(C(C)(C)CC)cc4)c3)C(=O)O)c2)cc1.COc1cc(-c2ccc(Nc3ccccc3C(=O)O)c(OC)c2)ccc1Cc1ccccc1C(=O)NC(CCCCNC(=O)c1ccccc1Nc1ccc(-c2ccc(Nc3ccccc3C(=O)O)c(OC)c2)cc1OC)C(=O)O.CSC1=CC2C(C=C1)SC1C=CC=CC1CC2N1CCN(C(=O)NCCCCC(NC(=O)COCCOCCCC(=O)CNC(=O)c2cc(C)cc(C)c2N)C(=O)O)CC1
InChIInChI=1S/C63H59N5O12.C51H65N3O10.C44H62N6O8S2/c1-77-55-34-38(39-26-30-52(57(35-39)79-3)66-49-21-11-8-18-46(49)61(71)72)24-25-43(55)33-42-15-5-6-16-44(42)60(70)68-54(63(75)76)23-13-14-32-64-59(69)45-17-7-10-20-48(45)65-51-29-27-40(36-56(51)78-2)41-28-31-53(58(37-41)80-4)67-50-22-12-9-19-47(50)62(73)74;1-7-50(3,4)38-20-24-41(25-21-38)63-43-17-11-14-36(32-43)47(57)52-28-10-9-19-45(49(59)60)54-46(56)35-62-31-30-61-29-13-16-40(55)34-53-48(58)37-15-12-18-44(33-37)64-42-26-22-39(23-27-42)51(5,6)8-2;1-29-23-30(2)41(45)35(24-29)42(53)47-27-32(51)10-8-20-57-21-22-58-28-40(52)48-36(43(54)55)11-6-7-15-46-44(56)50-18-16-49(17-19-50)37-25-31-9-4-5-12-38(31)60-39-14-13-33(59-3)26-34(37)39/h5-12,15-22,24-31,34-37,54,65-67H,13-14,23,32-33H2,1-4H3,(H,64,69)(H,68,70)(H,71,72)(H,73,74)(H,75,76);11-12,14-15,17-18,20-27,32-33,45H,7-10,13,16,19,28-31,34-35H2,1-6H3,(H,52,57)(H,53,58)(H,54,56)(H,59,60);4-5,9,12-14,23-24,26,31,34,36-39H,6-8,10-11,15-22,25,27-28,45H2,1-3H3,(H,46,56)(H,47,53)(H,48,52)(H,54,55)
InChIKeyMANRMAKKTWGKAO-UHFFFAOYSA-N
MW2825.43 g/mol
LogP25.47
Rot. Bonds74

About 2-[[2-[2-[5-[(2-amino-3,5-dimethylbenzoyl)amino]-4-oxopentoxy]ethoxy]acetyl]amino]-6-[[4-(3-methylsulfanyl-4a,5,6,6a,10a,11a-hexahydrobenzo[b][1]benzothiepin-5-yl)piperazine-1-carbonyl]amino]hexanoic acid;2-[4-[4-[[2-[[1-carboxy-5-[[2-[4-[4-(2-carboxyanilino)-3-methoxyphenyl]-2-methoxyanilino]benzoyl]amino]pentyl]carbamoyl]phenyl]methyl]-3-methoxyphenyl]-2-methoxyanilino]benzoic acid;6-[[3-[4-(2-methylbutan-2-yl)phenoxy]benzoyl]amino]-2-[[2-[2-[5-[[3-[4-(2-methylbutan-2-yl)phenoxy]benzoyl]amino]-4-oxopentoxy]ethoxy]acetyl]amino]hexanoic acid

2-[[2-[2-[5-[(2-amino-3,5-dimethylbenzoyl)amino]-4-oxopentoxy]ethoxy]acetyl]amino]-6-[[4-(3-methylsulfanyl-4a,5,6,6a,10a,11a-hexahydrobenzo[b][1]benzothiepin-5-yl)piperazine-1-carbonyl]amino]hexanoic acid;2-[4-[4-[[2-[[1-carboxy-5-[[2-[4-[4-(2-carboxyanilino)-3-methoxyphenyl]-2-methoxyanilino]benzoyl]amino]pentyl]carbamoyl]phenyl]methyl]-3-methoxyphenyl]-2-methoxyanilino]benzoic acid;6-[[3-[4-(2-methylbutan-2-yl)phenoxy]benzoyl]amino]-2-[[2-[2-[5-[[3-[4-(2-methylbutan-2-yl)phenoxy]benzoyl]amino]-4-oxopentoxy]ethoxy]acetyl]amino]hexanoic acid (PubChem CID 159510510) has the molecular formula C158H186N14O30S2 and a molecular weight of 2825.43 g/mol. Its IUPAC name is 2-[[2-[2-[5-[(2-amino-3,5-dimethylbenzoyl)amino]-4-oxopentoxy]ethoxy]acetyl]amino]-6-[[4-(3-methylsulfanyl-4a,5,6,6a,10a,11a-hexahydrobenzo[b][1]benzothiepin-5-yl)piperazine-1-carbonyl]amino]hexanoic acid;2-[4-[4-[[2-[[1-carboxy-5-[[2-[4-[4-(2-carboxyanilino)-3-methoxyphenyl]-2-methoxyanilino]benzoyl]amino]pentyl]carbamoyl]phenyl]methyl]-3-methoxyphenyl]-2-methoxyanilino]benzoic acid;6-[[3-[4-(2-methylbutan-2-yl)phenoxy]benzoyl]amino]-2-[[2-[2-[5-[[3-[4-(2-methylbutan-2-yl)phenoxy]benzoyl]amino]-4-oxopentoxy]ethoxy]acetyl]amino]hexanoic acid.

Molecular Properties

Compound Name2-[[2-[2-[5-[(2-amino-3,5-dimethylbenzoyl)amino]-4-oxopentoxy]ethoxy]acetyl]amino]-6-[[4-(3-methylsulfanyl-4a,5,6,6a,10a,11a-hexahydrobenzo[b][1]benzothiepin-5-yl)piperazine-1-carbonyl]amino]hexanoic acid;2-[4-[4-[[2-[[1-carboxy-5-[[2-[4-[4-(2-carboxyanilino)-3-methoxyphenyl]-2-methoxyanilino]benzoyl]amino]pentyl]carbamoyl]phenyl]methyl]-3-methoxyphenyl]-2-methoxyanilino]benzoic acid;6-[[3-[4-(2-methylbutan-2-yl)phenoxy]benzoyl]amino]-2-[[2-[2-[5-[[3-[4-(2-methylbutan-2-yl)phenoxy]benzoyl]amino]-4-oxopentoxy]ethoxy]acetyl]amino]hexanoic acid
PubChem CID159510510
Molecular FormulaC158H186N14O30S2
Molecular Weight2825.43 g/mol
Exact Mass2823.29
IUPAC Name2-[[2-[2-[5-[(2-amino-3,5-dimethylbenzoyl)amino]-4-oxopentoxy]ethoxy]acetyl]amino]-6-[[4-(3-methylsulfanyl-4a,5,6,6a,10a,11a-hexahydrobenzo[b][1]benzothiepin-5-yl)piperazine-1-carbonyl]amino]hexanoic acid;2-[4-[4-[[2-[[1-carboxy-5-[[2-[4-[4-(2-carboxyanilino)-3-methoxyphenyl]-2-methoxyanilino]benzoyl]amino]pentyl]carbamoyl]phenyl]methyl]-3-methoxyphenyl]-2-methoxyanilino]benzoic acid;6-[[3-[4-(2-methylbutan-2-yl)phenoxy]benzoyl]amino]-2-[[2-[2-[5-[[3-[4-(2-methylbutan-2-yl)phenoxy]benzoyl]amino]-4-oxopentoxy]ethoxy]acetyl]amino]hexanoic acid
SMILESCCC(C)(C)c1ccc(Oc2cccc(C(=O)NCCCCC(NC(=O)COCCOCCCC(=O)CNC(=O)c3cccc(Oc4ccc(C(C)(C)CC)cc4)c3)C(=O)O)c2)cc1.COc1cc(-c2ccc(Nc3ccccc3C(=O)O)c(OC)c2)ccc1Cc1ccccc1C(=O)NC(CCCCNC(=O)c1ccccc1Nc1ccc(-c2ccc(Nc3ccccc3C(=O)O)c(OC)c2)cc1OC)C(=O)O.CSC1=CC2C(C=C1)SC1C=CC=CC1CC2N1CCN(C(=O)NCCCCC(NC(=O)COCCOCCCC(=O)CNC(=O)c2cc(C)cc(C)c2N)C(=O)O)CC1
InChIInChI=1S/C63H59N5O12.C51H65N3O10.C44H62N6O8S2/c1-77-55-34-38(39-26-30-52(57(35-39)79-3)66-49-21-11-8-18-46(49)61(71)72)24-25-43(55)33-42-15-5-6-16-44(42)60(70)68-54(63(75)76)23-13-14-32-64-59(69)45-17-7-10-20-48(45)65-51-29-27-40(36-56(51)78-2)41-28-31-53(58(37-41)80-4)67-50-22-12-9-19-47(50)62(73)74;1-7-50(3,4)38-20-24-41(25-21-38)63-43-17-11-14-36(32-43)47(57)52-28-10-9-19-45(49(59)60)54-46(56)35-62-31-30-61-29-13-16-40(55)34-53-48(58)37-15-12-18-44(33-37)64-42-26-22-39(23-27-42)51(5,6)8-2;1-29-23-30(2)41(45)35(24-29)42(53)47-27-32(51)10-8-20-57-21-22-58-28-40(52)48-36(43(54)55)11-6-7-15-46-44(56)50-18-16-49(17-19-50)37-25-31-9-4-5-12-38(31)60-39-14-13-33(59-3)26-34(37)39/h5-12,15-22,24-31,34-37,54,65-67H,13-14,23,32-33H2,1-4H3,(H,64,69)(H,68,70)(H,71,72)(H,73,74)(H,75,76);11-12,14-15,17-18,20-27,32-33,45H,7-10,13,16,19,28-31,34-35H2,1-6H3,(H,52,57)(H,53,58)(H,54,56)(H,59,60);4-5,9,12-14,23-24,26,31,34,36-39H,6-8,10-11,15-22,25,27-28,45H2,1-3H3,(H,46,56)(H,47,53)(H,48,52)(H,54,55)
InChIKeyMANRMAKKTWGKAO-UHFFFAOYSA-N
XLogP25.47
TPSA614.33 Ų
H-Bond Donors17
H-Bond Acceptors32
Rotatable Bonds74
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002825.43
LogP ≤ 525.47
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze 2-[[2-[2-[5-[(2-amino-3,5-dimethylbenzoyl)amino]-4-oxopentoxy]ethoxy]acetyl]amino]-6-[[4-(3-methylsulfanyl-4a,5,6,6a,10a,11a-hexahydrobenzo[b][1]benzothiepin-5-yl)piperazine-1-carbonyl]amino]hexanoic acid;2-[4-[4-[[2-[[1-carboxy-5-[[2-[4-[4-(2-carboxyanilino)-3-methoxyphenyl]-2-methoxyanilino]benzoyl]amino]pentyl]carbamoyl]phenyl]methyl]-3-methoxyphenyl]-2-methoxyanilino]benzoic acid;6-[[3-[4-(2-methylbutan-2-yl)phenoxy]benzoyl]amino]-2-[[2-[2-[5-[[3-[4-(2-methylbutan-2-yl)phenoxy]benzoyl]amino]-4-oxopentoxy]ethoxy]acetyl]amino]hexanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-[5-[(2-amino-3,5-dimethylbenzoyl)amino]-4-oxopentoxy]ethoxy]acetyl]amino]-6-[[4-(3-methylsulfanyl-4a,5,6,6a,10a,11a-hexahydrobenzo[b][1]benzothiepin-5-yl)piperazine-1-carbonyl]amino]hexanoic acid;2-[4-[4-[[2-[[1-carboxy-5-[[2-[4-[4-(2-carboxyanilino)-3-methoxyphenyl]-2-methoxyanilino]benzoyl]amino]pentyl]carbamoyl]phenyl]methyl]-3-methoxyphenyl]-2-methoxyanilino]benzoic acid;6-[[3-[4-(2-methylbutan-2-yl)phenoxy]benzoyl]amino]-2-[[2-[2-[5-[[3-[4-(2-methylbutan-2-yl)phenoxy]benzoyl]amino]-4-oxopentoxy]ethoxy]acetyl]amino]hexanoic acid?
The IUPAC name of 2-[[2-[2-[5-[(2-amino-3,5-dimethylbenzoyl)amino]-4-oxopentoxy]ethoxy]acetyl]amino]-6-[[4-(3-methylsulfanyl-4a,5,6,6a,10a,11a-hexahydrobenzo[b][1]benzothiepin-5-yl)piperazine-1-carbonyl]amino]hexanoic acid;2-[4-[4-[[2-[[1-carboxy-5-[[2-[4-[4-(2-carboxyanilino)-3-methoxyphenyl]-2-methoxyanilino]benzoyl]amino]pentyl]carbamoyl]phenyl]methyl]-3-methoxyphenyl]-2-methoxyanilino]benzoic acid;6-[[3-[4-(2-methylbutan-2-yl)phenoxy]benzoyl]amino]-2-[[2-[2-[5-[[3-[4-(2-methylbutan-2-yl)phenoxy]benzoyl]amino]-4-oxopentoxy]ethoxy]acetyl]amino]hexanoic acid (CID 159510510) is 2-[[2-[2-[5-[(2-amino-3,5-dimethylbenzoyl)amino]-4-oxopentoxy]ethoxy]acetyl]amino]-6-[[4-(3-methylsulfanyl-4a,5,6,6a,10a,11a-hexahydrobenzo[b][1]benzothiepin-5-yl)piperazine-1-carbonyl]amino]hexanoic acid;2-[4-[4-[[2-[[1-carboxy-5-[[2-[4-[4-(2-carboxyanilino)-3-methoxyphenyl]-2-methoxyanilino]benzoyl]amino]pentyl]carbamoyl]phenyl]methyl]-3-methoxyphenyl]-2-methoxyanilino]benzoic acid;6-[[3-[4-(2-methylbutan-2-yl)phenoxy]benzoyl]amino]-2-[[2-[2-[5-[[3-[4-(2-methylbutan-2-yl)phenoxy]benzoyl]amino]-4-oxopentoxy]ethoxy]acetyl]amino]hexanoic acid.
What is the SMILES notation for 2-[[2-[2-[5-[(2-amino-3,5-dimethylbenzoyl)amino]-4-oxopentoxy]ethoxy]acetyl]amino]-6-[[4-(3-methylsulfanyl-4a,5,6,6a,10a,11a-hexahydrobenzo[b][1]benzothiepin-5-yl)piperazine-1-carbonyl]amino]hexanoic acid;2-[4-[4-[[2-[[1-carboxy-5-[[2-[4-[4-(2-carboxyanilino)-3-methoxyphenyl]-2-methoxyanilino]benzoyl]amino]pentyl]carbamoyl]phenyl]methyl]-3-methoxyphenyl]-2-methoxyanilino]benzoic acid;6-[[3-[4-(2-methylbutan-2-yl)phenoxy]benzoyl]amino]-2-[[2-[2-[5-[[3-[4-(2-methylbutan-2-yl)phenoxy]benzoyl]amino]-4-oxopentoxy]ethoxy]acetyl]amino]hexanoic acid?
The canonical SMILES for 2-[[2-[2-[5-[(2-amino-3,5-dimethylbenzoyl)amino]-4-oxopentoxy]ethoxy]acetyl]amino]-6-[[4-(3-methylsulfanyl-4a,5,6,6a,10a,11a-hexahydrobenzo[b][1]benzothiepin-5-yl)piperazine-1-carbonyl]amino]hexanoic acid;2-[4-[4-[[2-[[1-carboxy-5-[[2-[4-[4-(2-carboxyanilino)-3-methoxyphenyl]-2-methoxyanilino]benzoyl]amino]pentyl]carbamoyl]phenyl]methyl]-3-methoxyphenyl]-2-methoxyanilino]benzoic acid;6-[[3-[4-(2-methylbutan-2-yl)phenoxy]benzoyl]amino]-2-[[2-[2-[5-[[3-[4-(2-methylbutan-2-yl)phenoxy]benzoyl]amino]-4-oxopentoxy]ethoxy]acetyl]amino]hexanoic acid is CCC(C)(C)c1ccc(Oc2cccc(C(=O)NCCCCC(NC(=O)COCCOCCCC(=O)CNC(=O)c3cccc(Oc4ccc(C(C)(C)CC)cc4)c3)C(=O)O)c2)cc1.COc1cc(-c2ccc(Nc3ccccc3C(=O)O)c(OC)c2)ccc1Cc1ccccc1C(=O)NC(CCCCNC(=O)c1ccccc1Nc1ccc(-c2ccc(Nc3ccccc3C(=O)O)c(OC)c2)cc1OC)C(=O)O.CSC1=CC2C(C=C1)SC1C=CC=CC1CC2N1CCN(C(=O)NCCCCC(NC(=O)COCCOCCCC(=O)CNC(=O)c2cc(C)cc(C)c2N)C(=O)O)CC1.
What is the InChIKey of 2-[[2-[2-[5-[(2-amino-3,5-dimethylbenzoyl)amino]-4-oxopentoxy]ethoxy]acetyl]amino]-6-[[4-(3-methylsulfanyl-4a,5,6,6a,10a,11a-hexahydrobenzo[b][1]benzothiepin-5-yl)piperazine-1-carbonyl]amino]hexanoic acid;2-[4-[4-[[2-[[1-carboxy-5-[[2-[4-[4-(2-carboxyanilino)-3-methoxyphenyl]-2-methoxyanilino]benzoyl]amino]pentyl]carbamoyl]phenyl]methyl]-3-methoxyphenyl]-2-methoxyanilino]benzoic acid;6-[[3-[4-(2-methylbutan-2-yl)phenoxy]benzoyl]amino]-2-[[2-[2-[5-[[3-[4-(2-methylbutan-2-yl)phenoxy]benzoyl]amino]-4-oxopentoxy]ethoxy]acetyl]amino]hexanoic acid?
The InChIKey is MANRMAKKTWGKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H59N5O12.C51H65N3O10.C44H62N6O8S2/c1-77-55-34-38(39-26-30-52(57(35-39)79-3)66-49-21-11-8-18-46(49)61(71)72)24-25-43(55)33-42-15-5-6-16-44(42)60(70)68-54(63(75)76)23-13-14-32-64-59(69)45-17-7-10-20-48(45)65-51-29-27-40(36-56(51)78-2)41-28-31-53(58(37-41)80-4)67-50-22-12-9-19-47(50)62(73)74;1-7-50(3,4)38-20-24-41(25-21-38)63-43-17-11-14-36(32-43)47(57)52-28-10-9-19-45(49(59)60)54-46(56)35-62-31-30-61-29-13-16-40(55)34-53-48(58)37-15-12-18-44(33-37)64-42-26-22-39(23-27-42)51(5,6)8-2;1-29-23-30(2)41(45)35(24-29)42(53)47-27-32(51)10-8-20-57-21-22-58-28-40(52)48-36(43(54)55)11-6-7-15-46-44(56)50-18-16-49(17-19-50)37-25-31-9-4-5-12-38(31)60-39-14-13-33(59-3)26-34(37)39/h5-12,15-22,24-31,34-37,54,65-67H,13-14,23,32-33H2,1-4H3,(H,64,69)(H,68,70)(H,71,72)(H,73,74)(H,75,76);11-12,14-15,17-18,20-27,32-33,45H,7-10,13,16,19,28-31,34-35H2,1-6H3,(H,52,57)(H,53,58)(H,54,56)(H,59,60);4-5,9,12-14,23-24,26,31,34,36-39H,6-8,10-11,15-22,25,27-28,45H2,1-3H3,(H,46,56)(H,47,53)(H,48,52)(H,54,55).
What are the key properties of 2-[[2-[2-[5-[(2-amino-3,5-dimethylbenzoyl)amino]-4-oxopentoxy]ethoxy]acetyl]amino]-6-[[4-(3-methylsulfanyl-4a,5,6,6a,10a,11a-hexahydrobenzo[b][1]benzothiepin-5-yl)piperazine-1-carbonyl]amino]hexanoic acid;2-[4-[4-[[2-[[1-carboxy-5-[[2-[4-[4-(2-carboxyanilino)-3-methoxyphenyl]-2-methoxyanilino]benzoyl]amino]pentyl]carbamoyl]phenyl]methyl]-3-methoxyphenyl]-2-methoxyanilino]benzoic acid;6-[[3-[4-(2-methylbutan-2-yl)phenoxy]benzoyl]amino]-2-[[2-[2-[5-[[3-[4-(2-methylbutan-2-yl)phenoxy]benzoyl]amino]-4-oxopentoxy]ethoxy]acetyl]amino]hexanoic acid?
2-[[2-[2-[5-[(2-amino-3,5-dimethylbenzoyl)amino]-4-oxopentoxy]ethoxy]acetyl]amino]-6-[[4-(3-methylsulfanyl-4a,5,6,6a,10a,11a-hexahydrobenzo[b][1]benzothiepin-5-yl)piperazine-1-carbonyl]amino]hexanoic acid;2-[4-[4-[[2-[[1-carboxy-5-[[2-[4-[4-(2-carboxyanilino)-3-methoxyphenyl]-2-methoxyanilino]benzoyl]amino]pentyl]carbamoyl]phenyl]methyl]-3-methoxyphenyl]-2-methoxyanilino]benzoic acid;6-[[3-[4-(2-methylbutan-2-yl)phenoxy]benzoyl]amino]-2-[[2-[2-[5-[[3-[4-(2-methylbutan-2-yl)phenoxy]benzoyl]amino]-4-oxopentoxy]ethoxy]acetyl]amino]hexanoic acid has a molecular weight of 2825.43 g/mol, XLogP of 25.47, 74 rotatable bonds, 17 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-[5-[(2-amino-3,5-dimethylbenzoyl)amino]-4-oxopentoxy]ethoxy]acetyl]amino]-6-[[4-(3-methylsulfanyl-4a,5,6,6a,10a,11a-hexahydrobenzo[b][1]benzothiepin-5-yl)piperazine-1-carbonyl]amino]hexanoic acid;2-[4-[4-[[2-[[1-carboxy-5-[[2-[4-[4-(2-carboxyanilino)-3-methoxyphenyl]-2-methoxyanilino]benzoyl]amino]pentyl]carbamoyl]phenyl]methyl]-3-methoxyphenyl]-2-methoxyanilino]benzoic acid;6-[[3-[4-(2-methylbutan-2-yl)phenoxy]benzoyl]amino]-2-[[2-[2-[5-[[3-[4-(2-methylbutan-2-yl)phenoxy]benzoyl]amino]-4-oxopentoxy]ethoxy]acetyl]amino]hexanoic acid is sourced from PubChem (CID 159510510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).