Compound Identification
SMILES
COC1=C2C(=CC(Cl)=C1)[C@](O)(CCS2(=O)=O)C(=O)N1CC[C@H]1C(=O)NCC1=CC=C(C=C1)C(N)=N
InChIKey
InChIKey=QEGGMKQDCGBAND-GAJHUEQPSA-N
Formula
C23H25ClN4O6S
Mass
520.99
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
- Level 5 Amino acids and derivatives
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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
Direct Parent
Alpha amino acids and derivatives
Alternative Parents
Thiochromanes 1-benzothiopyrans Anisoles Alkyl aryl ethers Thiopyrans Aryl chlorides Benzene and substituted derivatives Tertiary carboxylic acid amides Tertiary alcohols Sulfones Secondary carboxylic acid amides Azetidines Carboximidamides Azacyclic compounds Carboxamidines Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Thiochromane - 1-benzothiopyran - Benzothiopyran - Anisole - Phenol ether - Alkyl aryl ether - Aryl chloride - Aryl halide - Thiopyran - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Sulfone - Tertiary alcohol - Carboxamide group - Secondary carboxylic acid amide - Azetidine - Amidine - Azacycle - Organoheterocyclic compound - Carboximidamide - Carboxylic acid amidine - Ether - Carbonyl group - Alcohol - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors
Not available