Compound Identification
SMILES
COC1=C(OC)C=C(CCC2CCCC(N2C(=O)CCSC(C)=O)C(O)=O)C=C1
InChIKey
InChIKey=IRXUGXUMGUIHCM-UHFFFAOYSA-N
Formula
C21H29NO6S
Mass
423.52
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
Dimethoxybenzenes Alkaloids and derivatives Piperidinecarboxylic acids N-acylpiperidines Phenoxy compounds Anisoles Alkyl aryl ethers Tertiary carboxylic acid amides Thioesters Carbothioic S-esters Sulfenyl compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - O-dimethoxybenzene - Dimethoxybenzene - N-acyl-piperidine - Alkaloid or derivatives - Piperidinecarboxylic acid - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Piperidine - Tertiary carboxylic acid amide - Thiocarboxylic acid ester - Carbothioic s-ester - Carboxamide group - Thiocarboxylic acid or derivatives - Sulfenyl compound - Organoheterocyclic compound - Carboxylic acid - Ether - Azacycle - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic 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