Compound Identification
SMILES
OC(=O)[C@H](NC(=O)[C@@H](CS)CC1=CC=CC=C1)[C@H](NC1=CC=C(Cl)C=C1)C(O)=O
InChIKey
InChIKey=ACNINNJMNBKQCV-XOKHGSTOSA-N
Formula
C20H21ClN2O5S
Mass
436.91
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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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 Aspartic acid and derivatives
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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
Aspartic acid and derivatives
Alternative Parents
Acyl D-homoserines N-acyl-alpha amino acids L-alpha-amino acids Phenylalkylamines Aniline and substituted anilines Secondary alkylarylamines Chlorobenzenes Aryl chlorides Dicarboxylic acids and derivatives Secondary carboxylic acid amides Amino acids Carboxylic acids Alkylthiols Organic oxides Carbonyl compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aspartic acid or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Acyl-homoserine - Acyl-d-homoserine - Alpha-amino acid - L-alpha-amino acid - Phenylalkylamine - Aniline or substituted anilines - Halobenzene - Chlorobenzene - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Fatty amide - Benzenoid - Fatty acyl - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Amino acid - Alkylthiol - Secondary amine - Carboxylic acid - Organooxygen compound - Organosulfur compound - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as aspartic acid and derivatives. These are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available