Compound Identification
SMILES
COCC1N(CCN(CC2=NC3=C(CCCC3C(N)=O)S2)C1=O)OC(=O)COC1=CC=C(Cl)S1
InChIKey
InChIKey=BIBONXGAJJMFHK-UHFFFAOYSA-N
Formula
C21H25ClN4O6S2
Mass
529.02
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
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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
2,5-disubstituted thiophenes Alkyl aryl ethers N-alkylpiperazines Aryl chlorides Thiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Primary carboxylic acid amides Lactams Monocarboxylic acids and derivatives Azacyclic compounds Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Alkyl aryl ether - 2,5-disubstituted thiophene - N-alkylpiperazine - Aryl chloride - Aryl halide - 1,4-diazinane - Piperazine - Heteroaromatic compound - Azole - Thiophene - Thiazole - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Primary carboxylic acid amide - Monocarboxylic acid or derivatives - Ether - Organoheterocyclic compound - Dialkyl ether - Azacycle - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen 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