Compound Identification
SMILES
Cl.[I-].CNCC(=O)OCC1=CC(OC)=C(OC)C=C1N(C)C(=O)OC[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=PBVNZEWSYMNEFV-UHFFFAOYSA-M
Formula
C37H39ClF2IN7O7S
Mass
926.17
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
-
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 Dimethoxybenzenes Phenylpropanes Methoxyanilines Phenoxy compounds Anisoles Benzonitriles 2,4-disubstituted thiazoles Alkyl aryl ethers Fluorobenzenes Aryl fluorides Triazoles Tertiary alcohols Carbamate esters Heteroaromatic compounds Carboxylic acid esters Nitriles Dialkylamines Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organofluorides Organic iodide salts Organic oxides Organic zwitterions Aromatic alcohols Hydrocarbon derivatives Hydrochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Phenylcarbamic acid ester - Benzyloxycarbonyl - Dimethoxybenzene - O-dimethoxybenzene - Phenylpropane - Methoxyaniline - Phenol ether - Phenoxy compound - Benzonitrile - Anisole - Methoxybenzene - Alkyl aryl ether - Fluorobenzene - 2,4-disubstituted 1,3-thiazole - Halobenzene - Aryl halide - Monocyclic benzene moiety - Benzenoid - Aryl fluoride - Azole - Heteroaromatic compound - Carbamic acid ester - 1,2,4-triazole - Thiazole - Tertiary alcohol - Carboxylic acid ester - Secondary amine - Secondary aliphatic amine - Ether - Nitrile - Monocarboxylic acid or derivatives - Carbonitrile - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Aromatic alcohol - Organic zwitterion - Organic salt - Hydrochloride - Organic iodide salt - Hydrocarbon derivative - Organic oxide - Amine - Cyanide - Organic oxygen compound - Alcohol - 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