Compound Identification
SMILES
OC([C@H](O)C(O)=O)C(O)=O.COC(=O)CNC1=CC=CC=C1Cl
InChIKey
InChIKey=VNJVXOJVEKKPSV-FWQMQHHGSA-N
Formula
C13H16ClNO8
Mass
349.72
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 acid esters
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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 acid esters
Alternative Parents
Phenylalkylamines Aniline and substituted anilines Sugar acids and derivatives Short-chain hydroxy acids and derivatives Secondary alkylarylamines Chlorobenzenes Beta hydroxy acids and derivatives Alpha hydroxy acids and derivatives Monosaccharides Aryl chlorides Fatty acids and conjugates Dicarboxylic acids and derivatives Methyl esters Secondary alcohols 1,2-diols Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds
Molecular Framework
Not available
Substituents
Alpha-amino acid ester - Phenylalkylamine - Aniline or substituted anilines - Halobenzene - Secondary aliphatic/aromatic amine - Chlorobenzene - Short-chain hydroxy acid - Sugar acid - Beta-hydroxy acid - Benzenoid - Fatty acid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Dicarboxylic acid or derivatives - Alpha-hydroxy acid - Hydroxy acid - Monosaccharide - Methyl ester - 1,2-diol - Carboxylic acid ester - Secondary alcohol - Carboxylic acid - Secondary amine - Organohalogen compound - Organonitrogen compound - Carbonyl group - Organochloride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Alcohol - Organooxygen compound - Aromatic homomonocyclic 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