Compound Identification
SMILES
CCOC(=O)C1=C(C)N(CC(=O)NCCN(C)C)C(=O)CC1C1=CC=CC=C1Cl
InChIKey
InChIKey=XNULIXMLJZOWBC-UHFFFAOYSA-N
Formula
C21H28ClN3O4
Mass
421.92
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
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
Tetrahydropyridines Chlorobenzenes Aryl chlorides Vinylogous amides Tertiary carboxylic acid amides Enoate esters Trialkylamines Secondary carboxylic acid amides Lactams Monocarboxylic acids and derivatives Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - Chlorobenzene - Halobenzene - Tetrahydropyridine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Hydropyridine - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Tertiary aliphatic amine - Lactam - Secondary carboxylic acid amide - Tertiary amine - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Amine - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic 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