Compound Identification
SMILES
CC1=CC=C(SCC2=C(N3[C@H](SC2)[C@H](N)C3=O)C(O)=O)S1
InChIKey
InChIKey=KIKJTLAEAOAIOM-BXKDBHETSA-N
Formula
C13H14N2O3S3
Mass
342.45
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
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
Cephems 2,5-disubstituted thiophenes Alkylarylthioethers 1,3-thiazines Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids Azetidines Thiohemiaminal derivatives Sulfenyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Dialkylthioethers Carboxylic acids Carbonyl compounds Organic oxides Hydrocarbon derivatives Monoalkylamines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Cephem - Aryl thioether - Alkylarylthioether - 2,5-disubstituted thiophene - Meta-thiazine - Beta-lactam - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiophene - Azetidine - Amino acid - Carboxamide group - Lactam - Azacycle - Carboxylic acid - Organoheterocyclic compound - Dialkylthioether - Monocarboxylic acid or derivatives - Sulfenyl compound - Thioether - Hemithioaminal - Primary aliphatic amine - Amine - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - 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