Compound Identification
SMILES
CC1=NN=C(SCC2=C(N3[C@@H](SC2)C(NC(=O)NCC2=CC=CC=C2Cl)C3=O)C(O)=O)S1
InChIKey
InChIKey=MCTWRRFRQUETCK-VYIIXAMBSA-N
Formula
C19H18ClN5O4S3
Mass
512.01
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
Cephems Alkylarylthioethers Chlorobenzenes 1,3-thiazines Aryl chlorides Thiadiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Ureas Azetidines Thiohemiaminal derivatives Sulfenyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Dialkylthioethers Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Cephem - Aryl thioether - Halobenzene - Alkylarylthioether - Chlorobenzene - Monocyclic benzene moiety - Benzenoid - Meta-thiazine - Aryl chloride - Aryl halide - Beta-lactam - Azole - Tertiary carboxylic acid amide - Thiadiazole - Heteroaromatic compound - Lactam - Urea - Carboxamide group - Azetidine - Thioether - Hemithioaminal - Monocarboxylic acid or derivatives - Sulfenyl compound - Dialkylthioether - Organoheterocyclic compound - Azacycle - Carboxylic acid - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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