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 | FCCc1ccc(cc1C(=C)N[C@H](C(=O)OC(C)C)CCSC)NC[C@@H]1CC[C@@H](N1)SC(=O)c1cccnc1 |
|---|---|
| IUPAC Name | propan-2-yl (2S)-2-[1-[2-(2-fluoroethyl)-5-[[(2S,5S)-5-(pyridine-3-carbonylsulfanyl)pyrrolidin-2-yl]methylamino]phenyl]ethenylamino]-4-methylsulfanylbutanoate |
| InChIKey | GIJNHMGFNKZBIR-URORMMCBSA-N |
| INCHI | 1S/C29H39FN4O3S2/c1-19(2)37-28(35)26(12-15-38-4)33-20(3)25-16-23(8-7-21(25)11-13-30)32-18-24-9-10-27(34-24)39-29(36)22-6-5-14-31-17-22/h5-8,14,16-17,19,24,26-27,32-34H,3,9-13,15,18H2,1-2,4H3/t24-,26-,27-/m0/s1 |
| Isomeric SMILES | CC(C)OC(=O)[C@H](CCSC)NC(=C)C1=C(C=CC(=C1)NC[C@@H]2CC[C@@H](N2)SC(=O)C3=CN=CC=C3)CCF |
| PubChem CID | 56603668 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Methionine and derivatives |
| Alternative Parents | Alpha amino acid esters Pyridinecarboxylic acids and derivatives Aniline and substituted anilines Styrenes Phenylalkylamines Fatty acid esters Secondary alkylarylamines Pyrrolidines Heteroaromatic compounds Thioesters Carbothioic S-esters Carboxylic acid esters Sulfenyl compounds Enamines Dialkylthioethers Dialkylamines Thiohemiaminal derivatives Azacyclic compounds Monocarboxylic acids and derivatives Organofluorides Alkyl fluorides Carbonyl compounds Hydrocarbon derivatives Organic oxides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Methionine or derivatives - Alpha-amino acid ester - Pyridine carboxylic acid or derivatives - Styrene - Phenylalkylamine - Aniline or substituted anilines - Fatty acid ester - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Fatty acyl - Pyridine - Benzenoid - Heteroaromatic compound - Pyrrolidine - Thiocarboxylic acid ester - Carbothioic s-ester - Carboxylic acid ester - Secondary aliphatic amine - Enamine - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Secondary amine - Hemithioaminal - Thiocarboxylic acid or derivatives - Thioether - Organofluoride - Organohalogen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Amine - Organic oxygen compound - Carbonyl group - Organic oxide - Alkyl fluoride - Alkyl halide - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as methionine and derivatives. These are compounds containing methionine or a derivative thereof resulting from reaction of methionine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
| External Descriptors | Not available |
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