Compound Identification
SMILES
OC(=O)C1(N[C@@H]1CC1=CN=CN1)C(=O)CCCC1=CC=C(C=C1)N(CCCl)CCCl
InChIKey
InChIKey=OOTSVLLWCLBWNK-ITUIMRKVSA-N
Formula
C21H26Cl2N4O3
Mass
453.36
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 acids
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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 acids
Alternative Parents
Medium-chain keto acids and derivatives Nitrogen mustard compounds Aniline and substituted anilines Imidazolyl carboxylic acids and derivatives Dialkylarylamines Aralkylamines Heterocyclic fatty acids Halogenated fatty acids Beta-keto acids and derivatives Aziridinecarboxylic acids Beta-amino ketones Beta-hydroxy ketones Alpha-amino ketones Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Azacyclic compounds Dialkylamines Carboxylic acids Hydrocarbon derivatives Organochlorides Organic oxides Alkyl chlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid - Medium-chain keto acid - Imidazolyl carboxylic acid derivative - Nitrogen mustard - Dialkylarylamine - Aniline or substituted anilines - Beta-keto acid - Halogenated fatty acid - Heterocyclic fatty acid - Aralkylamine - Beta-hydroxy ketone - Benzenoid - Beta-aminoketone - Monocyclic benzene moiety - Fatty acyl - Aziridinecarboxylic acid - Keto acid - Alpha-aminoketone - Heteroaromatic compound - Imidazole - Azole - Tertiary amine - Amino acid - Ketone - Aziridine - Monocarboxylic acid or derivatives - Azacycle - Secondary amine - Secondary aliphatic amine - Carboxylic acid - Organoheterocyclic compound - Organooxygen compound - Carbonyl group - Alkyl halide - Alkyl chloride - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organohalogen compound - Amine - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
External Descriptors
Not available