Compound Identification
SMILES
NC(=O)CCNC(=O)C1=C(SC(=O)C2=CN=CC=C2)C=C(Cl)C=C1
InChIKey
InChIKey=MJCLOIDYOOHQFR-UHFFFAOYSA-N
Formula
C16H14ClN3O3S
Mass
363.82
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
- Level 6 Beta amino acids and derivatives
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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
Beta amino acids and derivatives
Alternative Parents
4-halobenzoic acids and derivatives O-sulfanylbenzoic acids and derivatives Pyridinecarboxylic acids and derivatives Benzamides Aryl thioethers Benzoyl derivatives Chlorobenzenes Aryl chlorides Heteroaromatic compounds Thioesters Secondary carboxylic acid amides Primary carboxylic acid amides Carbothioic S-esters Sulfenyl compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - O-sulfanylbenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Pyridine carboxylic acid or derivatives - Benzamide - Benzoyl - Aryl thioether - Chlorobenzene - Halobenzene - Monocyclic benzene moiety - Aryl chloride - Benzenoid - Pyridine - Aryl halide - Heteroaromatic compound - Carboxamide group - Carbothioic s-ester - Thiocarboxylic acid ester - Primary carboxylic acid amide - Secondary carboxylic acid amide - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Thiocarboxylic acid or derivatives - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
External Descriptors
Not available