Compound Identification
SMILES
CN(CC(O)=O)CC1=CC(=CC(C)=C1O)C1(OS(=O)(=O)C2=CC=CC=C12)C1=CC(C)=C(O)C(CN(C)CC(O)=O)=C1
InChIKey
InChIKey=OKYOTYMRDBFYNX-UHFFFAOYSA-N
Formula
C29H32N2O9S
Mass
584.64
Taxonomic Classification
Taxonomy Tree
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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
N-acyl-alpha amino acids and derivatives
-
Level 8
N-acyl-alpha amino acids
- Level 9 N-benzylalanines
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Level 8
N-acyl-alpha amino acids
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Level 7
N-acyl-alpha amino acids and derivatives
-
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 - N-acyl-alpha amino acids and derivatives - N-acyl-alpha amino acids
Direct Parent
N-benzylalanines
Alternative Parents
Alpha amino acids Benzofuranones Phthalides Benzoxathioles Phenylmethylamines Benzylamines Ortho cresols Toluenes Aralkylamines Dicarboxylic acids and derivatives Organosulfonic acid esters Amino acids Trialkylamines Carboxylic acids Oxacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-benzylalanine - Alpha-amino acid - Benzofuranone - Phthalide - Benzoxathiole - O-cresol - Benzylamine - Phenylmethylamine - Aralkylamine - Phenol - Toluene - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Organosulfonic acid ester - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Tertiary amine - Amino acid - Tertiary aliphatic amine - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-benzylalanines. These are n-benzyl derivatives of alanine.
External Descriptors
Not available