Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | NCCCCN1C(=O)NC(C(O)C)C(=O)NC(C(=O)NC(C(=O)NC(C(O)C)C(=O)NC(CCCNC(=O)N)C(=O)NC(CC2CNC(=N2)N)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(=O)NC(C(=O)NC(C(=O)NC(C(=O)OC(C(C(=O)NC(C1=O)c1ccc(cc1)O)NC(=O)C(NC(=O)/C=C/C=C/CCCCC(CC)C)CC(=O)O)C)c1ccc(cc1)O)C)CC1CNC(=N1)N)c1cc(Cl)c(c(c1)Cl)O)CO)c1ccc(cc1)O)c1ccc(cc1)O)c1ccc(cc1)O |
|---|---|
| IUPAC Name | 4-[[41-(4-aminobutyl)-9,23-bis[(2-amino-4,5-dihydro-1H-imidazol-4-yl)methyl]-26-[3-(carbamoylamino)propyl]-14-(3,5-dichloro-4-hydroxyphenyl)-29,38-bis(1-hydroxyethyl)-17-(hydroxymethyl)-3,20,32,35,43-pentakis(4-hydroxyphenyl)-6,47-dimethyl-2,5,8,11,13,16,19,22,25,28,31,34,37,40,42,45-hexadecaoxo-1-oxa-4,7,10,12,15,18,21,24,27,30,33,36,39,41,44-pentadecazacycloheptatetracont-46-yl]amino]-3-[[(2E,4E)-10-methyldodeca-2,4-dienoyl]amino]-4-oxobutanoic acid |
| InChIKey | QKXQEKZXVMLAMO-JDCCHMEXSA-N |
| INCHI | 1S/C107H138Cl2N26O31/c1-7-51(2)17-12-10-8-9-11-13-19-76(144)120-74(47-77(145)146)92(152)126-80-55(6)166-102(162)86(60-28-38-68(143)39-29-60)132-88(148)52(3)117-90(150)73(46-63-49-116-104(112)119-63)124-106(164)134-100(160)84(61-43-69(108)87(147)70(109)44-61)128-93(153)75(50-136)123-97(157)81(56-20-30-64(139)31-21-56)127-91(151)72(45-62-48-115-103(111)118-62)122-89(149)71(18-16-41-114-105(113)163)121-94(154)78(53(4)137)125-98(158)82(57-22-32-65(140)33-23-57)130-99(159)83(58-24-34-66(141)35-25-58)129-95(155)79(54(5)138)133-107(165)135(42-15-14-40-110)101(161)85(131-96(80)156)59-26-36-67(142)37-27-59/h9,11,13,19-39,43-44,51-55,62-63,71-75,78-86,136-143,147H,7-8,10,12,14-18,40-42,45-50,110H2,1-6H3,(H,117,150)(H,120,144)(H,121,154)(H,122,149)(H,123,157)(H,125,158)(H,126,152)(H,127,151)(H,128,153)(H,129,155)(H,130,159)(H,131,156)(H,132,148)(H,133,165)(H,145,146)(H3,111,115,118)(H3,112,116,119)(H3,113,114,163)(H2,124,134,160,164)/b11-9+,19-13+ |
| Isomeric SMILES | CCC(C)CCCC/C=C/C=C/C(=O)NC(CC(=O)O)C(=O)NC1C(OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)N(C(=O)C(NC1=O)C2=CC=C(C=C2)O)CCCCN)C(C)O)C3=CC=C(C=C3)O)C4=CC=C(C=C4)O)C(C)O)CCCNC(=O)N)CC5CNC(=N5)N)C6=CC=C(C=C6)O)CO)C7=CC(=C(C(=C7)Cl)O)Cl)CC8CNC(=N8)N)C)C9=CC=C(C=C9)O)C |
| PubChem CID | 56842193 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Peptidomimetics |
| Subclass | Depsipeptides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Cyclic depsipeptides |
| Alternative Parents | Macrolide lactams Aspartic acid and derivatives N-acyl-alpha amino acids and derivatives Macrolides and analogues Macrolactams Alpha amino acid esters Alpha amino acid amides O-chlorophenols Imidazolyl carboxylic acids and derivatives Dichlorobenzenes N-acyl ureas 1-hydroxy-2-unsubstituted benzenoids N-acyl amines Dicarboxylic acids and derivatives Aryl chlorides Imidazolines Dicarboximides Secondary carboxylic acid amides Secondary alcohols Lactones Lactams Guanidines Carboxylic acid esters Amino acids Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Carboxylic acids Carboximidamides Azacyclic compounds Primary alcohols Organopnictogen compounds Organochlorides Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Cyclic depsipeptide - Aspartic acid or derivatives - Macrolide lactam - N-acyl-alpha amino acid or derivatives - Macrolide - Macrolactam - Alpha-amino acid ester - Alpha-amino acid amide - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - 2-chlorophenol - Imidazolyl carboxylic acid derivative - 2-halophenol - 1,3-dichlorobenzene - 1-hydroxy-2-unsubstituted benzenoid - Ureide - Phenol - N-acyl urea - Halobenzene - Chlorobenzene - Fatty acyl - Benzenoid - N-acyl-amine - Fatty amide - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Aryl halide - Aryl chloride - 2-imidazoline - Dicarboximide - Amino acid - Urea - Secondary carboxylic acid amide - Secondary alcohol - Carbonic acid derivative - Lactone - Lactam - Guanidine - Carboxylic acid ester - Carboxamide group - Amino acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Primary aliphatic amine - Carbonyl group - Amine - Alcohol - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as cyclic depsipeptides. These are natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids) connected in a ring. The residues are commonly but not necessarily regularly alternating. |
| External Descriptors | Not available |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →
