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.
| ALogP | -4 |
|---|
| Canonical Smiles | CCCCCC1=CC=C(C=C1)C(=CC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC4C(OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC4=O)CCCN)CC(=O)O)C)CC(=O)O)CO)C(C)CC(=O)O)CC(=O)C5=CC=CC=C5N)C)C |
|---|---|
| IUPAC Name | (3S)-3-[[(2R)-4-amino-2-[[(2R)-3-(1H-indol-3-yl)-2-[[(E)-3-(4-pentylphenyl)but-2-enoyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]-4-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-(3-aminopropyl)-15,21-bis(carboxymethyl)-6-[(2R)- |
| InChIKey | DYNMYYRPPFVAKR-ZXTAUSOFSA-N |
| INCHI | 1S/C77H101N17O26/c1-6-7-8-14-41-20-22-42(23-21-41)37(2)25-58(98)86-49(27-43-33-81-47-18-12-10-15-44(43)47)71(113)89-50(29-57(80)97)72(114)91-53(32-64(107)108)73(115)94-66-40(5)120-77(119)54(28-56(96)45-16-9-11-17-46(45)79)92-76(118)65(38(3)26-61(101 |
| Isomeric SMILES | CCCCCC1=CC=C(C=C1)/C(=C/C(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]4[C@H](OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC4=O)CCCN)CC(=O)O)C)CC(=O)O)CO)[C@H](C)CC(=O)O)CC(=O)C5=CC=CC=C5N)C)/C |
| PubChem CID | 73345788 |
| Molecular Weight | 1680.7 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | Pentacarboxylic acids and derivatives Asparagine and derivatives Aspartic acid and derivatives Macrolide lactams Alkyl-phenylketones Alpha amino acid esters Macrolactams Macrolides and analogues N-acyl-alpha amino acids and derivatives Tryptamines and derivatives Cinnamic acid amides Alpha amino acid amides 3-alkylindoles Phenylpropenes Styrenes Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives N-acyl amines Substituted pyrroles Heteroaromatic compounds Vinylogous amides Lactones Lactams Amino acids Carboxylic acid esters Secondary carboxylic acid amides Primary carboxylic acid amides Carboxylic acids Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Primary alcohols Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Cyclic depsipeptide - Pentacarboxylic acid or derivatives - Macrolide lactam - Asparagine or derivatives - Aspartic acid or derivatives - Alkyl-phenylketone - N-acyl-alpha amino acid or derivatives - Alpha-amino acid ester - Macrolide - Macrolactam - Triptan - Cinnamic acid amide - Cinnamic acid or derivatives - Alpha-amino acid amide - 3-alkylindole - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Phenylketone - Phenylpropene - Indole - Indole or derivatives - Benzoyl - Aniline or substituted anilines - Aryl alkyl ketone - Aryl ketone - Styrene - Fatty amide - Monocyclic benzene moiety - N-acyl-amine - Fatty acyl - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Vinylogous amide - Pyrrole - Amino acid or derivatives - Amino acid - Primary carboxylic acid amide - Carboxamide group - Lactone - Lactam - Ketone - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Primary amine - Primary aliphatic amine - Amine - Organooxygen compound - Alcohol - Primary alcohol - Organopnictogen compound - Organic oxide - Aromatic heteropolycyclic 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 |
