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Basic Description
Synonyms
AZD 3409;AZD-3409
Specifications & Purity
Moligand™
Grade
Moligand™
Taxonomic Classification
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
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
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
INCHI
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
InChIKey
GIJNHMGFNKZBIR-URORMMCBSA-N
Smiles
FCCc1ccc(cc1C(=C)N[C@H](C(=O)OC(C)C)CCSC)NC[C@@H]1CC[C@@H](N1)SC(=O)c1cccnc1
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
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
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