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.
| Sonrisas canónicas | CCC1C(=O)N2CCCC2C(=O)N(C(C(=O)N3CC(C(=O)CC3C(=O)NC(C(=O)OC(C(C(=O)N1)NC(=O)C4=C(C=CC=N4)O)C)C5=CC=CC=C5)CSC6CN7CCC6CC7)CC8=CC=C(C=C8)N(C)C)C.CCN(CC)CCS(=O)(=O)C1CCN2C1C(=O)OC(C(C=CC(=O)NCC=CC(=CC(CC(=O)CC3=NC(=CO3)C2=O)O)C)C)C(C)C |
|---|---|
| IUPAC Name | N-[(3S,6S,12R,15S,16R,19S,22S,25R)-25-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]sulfanylmethyl]-3-[[4-(dimethylamino)phenyl]methyl]-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.06,10]hexacosan-15-yl]-3 |
| InChIKey | PPKJUHVNTMYXOD-PZGPJMECSA-N |
| INCHI | 1S/C53H67N9O10S.C34H50N4O9S/c1-6-37-50(68)61-23-11-14-38(61)51(69)59(5)40(26-32-16-18-36(19-17-32)58(3)4)52(70)62-28-35(30-73-43-29-60-24-20-33(43)21-25-60)42(64)27-39(62)47(65)57-45(34-12-8-7-9-13-34)53(71)72-31(2)44(48(66)55-37)56-49(67)46-41(63)1 |
| Isómeros SMILES | CC[C@@H]1C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)N3C[C@H](C(=O)C[C@H]3C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)C4=C(C=CC=N4)O)C)C5=CC=CC=C5)CS[C@@H]6CN7CCC6CC7)CC8=CC=C(C=C8)N(C)C)C.CCN(CC)CCS(=O)(=O)[C@@H]1CCN2[C@H]1C(=O)O[C@@H]([C@@H](/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)CC3=NC(=CO3)C2=O)O)/C)C)C(C)C |
| Peso molecular | 1713.1 |
| Reaxy-Rn | 9185368 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9185368&ln= |
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 |
| Clase | Peptidomimetics |
| Subclass | Depsipeptides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Cyclic depsipeptides |
| Alternative Parents | Macrolide lactams Alpha amino acid esters Macrolactams Macrolides and analogues N-acyl-alpha amino acids and derivatives Pyridinecarboxamides 2-heteroaryl carboxamides Aniline and substituted anilines Dialkylarylamines Quinuclidines Hydroxypyridines Piperidinones Vinylogous acids Tertiary carboxylic acid amides Sulfones Heteroaromatic compounds Pyrrolidines Oxazoles Secondary alcohols Secondary carboxylic acid amides Lactones Lactams Trialkylamines Carboxylic acid esters Cyclic ketones Sulfenyl compounds Azacyclic compounds Dialkylthioethers Monocarboxylic acids and derivatives Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds |
| Molecular Framework | Not available |
| Substituents | Cyclic depsipeptide - Macrolide lactam - Alpha-amino acid ester - Macrolactam - Macrolide - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - Aniline or substituted anilines - Dialkylarylamine - Quinuclidine - Tertiary aliphatic/aromatic amine - Hydroxypyridine - Piperidinone - Monocyclic benzene moiety - Piperidine - Pyridine - Benzenoid - Tertiary carboxylic acid amide - Azole - Heteroaromatic compound - Sulfonyl - Sulfone - Oxazole - Vinylogous acid - Pyrrolidine - Cyclic ketone - Tertiary aliphatic amine - Amino acid or derivatives - Tertiary amine - Carboxamide group - Carboxylic acid ester - Ketone - Lactam - Lactone - Secondary carboxylic acid amide - Secondary alcohol - Monocarboxylic acid or derivatives - Dialkylthioether - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Sulfenyl compound - Thioether - Oxacycle - Amine - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Alcohol - Organic nitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Descripción | 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 |
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