Compound Identification
SMILES
CNCC(=O)OCC1=C(C=CC=C1Cl)N(C)C(=O)OC(C)[N+]1=CN(CC(O)(C2=C(F)C=C(F)C=C2)C(C)(C)SC2=NN=C(C=C2)N2C=NC=N2)N=C1
InChIKey
InChIKey=UDAGYTMGTUIWKA-UHFFFAOYSA-N
Formula
C33H36ClF2N10O5S
Mass
758.22
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
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Level 6
Alpha amino acids and derivatives
- Level 7 Alpha amino acid esters
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Level 6
Alpha amino acids and derivatives
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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
Phenylcarbamic acid esters Benzyloxycarbonyls Phenylpropanes Alkylarylthioethers Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Pyridazines and derivatives Triazoles Tertiary alcohols Carbamate esters Heteroaromatic compounds Carboxylic acid esters Dialkylamines Azacyclic compounds Sulfenyl compounds Monocarboxylic acids and derivatives Organic oxides Organochlorides Carbonyl compounds Aromatic alcohols Organofluorides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Phenylcarbamic acid ester - Benzyloxycarbonyl - Phenylpropane - Aryl thioether - Halobenzene - Fluorobenzene - Chlorobenzene - Alkylarylthioether - Pyridazine - Aryl chloride - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Tertiary alcohol - Heteroaromatic compound - Azole - 1,2,4-triazole - Carbamic acid ester - Carboxylic acid ester - Secondary amine - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Secondary aliphatic amine - Thioether - Monocarboxylic acid or derivatives - Organosulfur compound - Organic nitrogen compound - Organohalogen compound - Aromatic alcohol - Organochloride - Organofluoride - Alcohol - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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