Compound Identification
SMILES
ClC1=CC=C(C=C1)C(=O)N1C(CSC1C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)NCCN1CCOCC1
InChIKey
InChIKey=CAOACISMVHAJAE-UHFFFAOYSA-N
Formula
C30H32ClN3O4S
Mass
566.11
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
4-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Phenol ethers Phenoxy compounds Alkyl aryl ethers Chlorobenzenes Morpholines Aryl chlorides Thiazolidines Tertiary carboxylic acid amides Trialkylamines Secondary carboxylic acid amides Oxacyclic compounds Dialkylthioethers Dialkyl ethers Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Phenol ether - Phenoxy compound - Benzoyl - Alkyl aryl ether - Halobenzene - Chlorobenzene - Benzenoid - Aryl halide - Aryl chloride - Oxazinane - Monocyclic benzene moiety - Morpholine - Thiazolidine - Tertiary carboxylic acid amide - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Oxacycle - Thioether - Dialkylthioether - Organoheterocyclic compound - Azacycle - Ether - Dialkyl ether - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Amine - 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