Compound Identification
SMILES
CC(OC(=O)N(C)C1=C(COC(=O)CN)C(Cl)=CC=C1)[N+]1=CN(CC(O)(C(C)C2=NC(=CS2)C2=CC=C(C=C2)C#N)C2=C(F)C=CC(F)=C2)N=C1
InChIKey
InChIKey=ZAUABAJEUZFOLH-UHFFFAOYSA-N
Formula
C35H33ClF2N7O5S
Mass
737.2
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 Benzonitriles 2,4-disubstituted thiazoles Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Triazoles Tertiary alcohols Carbamate esters Heteroaromatic compounds Carboxylic acid esters Nitriles Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Aromatic alcohols Organic oxides Organochlorides Organofluorides Hydrocarbon derivatives Monoalkylamines Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Phenylcarbamic acid ester - Benzyloxycarbonyl - Phenylpropane - Benzonitrile - 2,4-disubstituted 1,3-thiazole - Halobenzene - Fluorobenzene - Chlorobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azole - Carbamic acid ester - 1,2,4-triazole - Tertiary alcohol - Thiazole - Carboxylic acid ester - Carbonitrile - Nitrile - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Alcohol - Primary aliphatic amine - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Primary amine - Aromatic alcohol - Hydrocarbon derivative - Organic oxide - Cyanide - Amine - Organic oxygen compound - 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