Compound Identification
SMILES
Cl.[Cl-].CNCC(=O)OC1=C(C)C=C(C[N+]2=CN(C[C@@](O)([C@@H](C)N3CCN(C3=O)C3=CC=C(C=C3)N3C=NN=N3)C3=C(F)C=C(F)C=C3)N=C2)C=C1C
InChIKey
InChIKey=PYASFHYYECUUCX-SHZDQPSCSA-M
Formula
C34H38Cl2F2N10O4
Mass
759.64
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Alpha amino acid esters
-
Level 6
Alpha amino acids and derivatives
-
Level 5
Amino acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
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
Alpha amino acid esters
Alternative Parents
Phenylimidazolidines Phenyltetrazoles and derivatives Phenol esters Phenylpropanes m-Xylenes Phenoxy compounds Fluorobenzenes Aryl fluorides Imidazolidinones Triazoles Tertiary alcohols Heteroaromatic compounds Ureas Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Dialkylamines Organofluorides Hydrocarbon derivatives Aromatic alcohols Hydrochlorides Carbonyl compounds Organic chloride salts Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Phenylimidazolidine - Phenyltetrazole - Phenol ester - Phenylpropane - Phenoxy compound - M-xylene - Xylene - Fluorobenzene - Halobenzene - Imidazolidinone - Monocyclic benzene moiety - Aryl fluoride - Benzenoid - Aryl halide - Imidazolidine - Heteroaromatic compound - Tertiary alcohol - Tetrazole - 1,2,4-triazole - Azole - Carboxylic acid ester - Urea - Azacycle - Secondary amine - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Organoheterocyclic compound - Hydrochloride - Organic chloride salt - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Alcohol - Organic oxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Aromatic alcohol - Organic salt - Amine - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
External Descriptors
Not available