Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H](O)CN(CC1=CC=CC=C1)[C@@H](CC(O)=O)C(O)=O
InChIKey
InChIKey=GBTWMRBLJWYGSS-HKUYNNGSSA-N
Formula
C21H25NO8S
Mass
451.49
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 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
p-Methylbenzenesulfonates Benzenesulfonate esters Tosyl compounds L-alpha-amino acids Arylsulfonic acids and derivatives Benzenesulfonyl compounds Phenylmethylamines Benzylamines Aralkylamines Organosulfonic acid esters Dicarboxylic acids and derivatives Sulfonyls 1,2-aminoalcohols Amino acids Trialkylamines Secondary alcohols Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aspartic acid or derivatives - Benzenesulfonate ester - P-methylbenzenesulfonate - Alpha-amino acid - L-alpha-amino acid - Benzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Benzylamine - Phenylmethylamine - Toluene - Aralkylamine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Organosulfonic acid ester - Benzenoid - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Tertiary aliphatic amine - Secondary alcohol - Amino acid - Tertiary amine - 1,2-aminoalcohol - Carboxylic acid - Amine - Alcohol - Organonitrogen compound - Carbonyl group - Organic oxide - Organooxygen compound - Organic oxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen 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