Compound Identification
SMILES
OC(=O)C[N+]1=C(SC2=C1C=C(C=C2)N1C=CC2=CC=CC=C12)\C=C1/OC2=C(C=C(C=C2)C2=CC3=C(SC=C3)C=C2)N1CCCS(O)(=O)=O
InChIKey
InChIKey=WPJJHXIGAWUBLM-UHFFFAOYSA-O
Formula
C36H28N3O6S3
Mass
694.81
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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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
1-benzothiophenes Benzothiazoles Benzoxazolines Indoles Substituted pyrroles Benzenoids Thiophenes Thiazoles Sulfonyls Organosulfonic acids Alkanesulfonic acids Heteroaromatic compounds Ketene acetals Oxacyclic compounds Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Amines Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - 1,3-benzothiazole - Benzothiophene - 1-benzothiophene - Benzoxazoline - Indole - Indole or derivatives - Substituted pyrrole - Benzenoid - Azole - Heteroaromatic compound - Pyrrole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Thiazole - Thiophene - Alkanesulfonic acid - Ketene acetal or derivatives - Organoheterocyclic compound - Carboxylic acid - Azacycle - Oxacycle - Monocarboxylic acid or derivatives - Amine - Organosulfur compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic cation - Aromatic heteropolycyclic 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