Compound Identification
SMILES
COC1=NC(Cl)=NC(NC2C3SC(C)(C)C(N3C2=O)C(O)=O)=N1
InChIKey
InChIKey=YKRNITVHQJLYQE-UHFFFAOYSA-N
Formula
C12H14ClN5O4S
Mass
359.79
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
-
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
2-methoxy-1,3,5-triazines Penams Alkyl aryl ethers N-aliphatic s-triazines Chloro-s-triazines Aryl chlorides Thiazolidines Tertiary carboxylic acid amides Heteroaromatic compounds Azetidines Dialkylthioethers Monocarboxylic acids and derivatives Carboxylic acids Thiohemiaminal derivatives Azacyclic compounds Carbonyl compounds Organic oxides Amines Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - 2-methoxy-1,3,5-triazine - Alkoxy-s-triazine - Penam - Alkyl aryl ether - Chloro-s-triazine - Halo-s-triazine - Amino-1,3,5-triazine - Aminotriazine - N-aliphatic s-triazine - Triazine - Aryl chloride - Aryl halide - 1,3,5-triazine - Beta-lactam - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazolidine - Lactam - Carboxamide group - Azetidine - Azacycle - Organoheterocyclic compound - Dialkylthioether - Hemithioaminal - Thioether - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxide - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen 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