Compound Identification
SMILES
NC(=O)CCNC(=O)C1=C(S)C=CC(Br)=C1
InChIKey
InChIKey=QJNKBDIOJCWGCX-UHFFFAOYSA-N
Formula
C10H11BrN2O2S
Mass
303.17
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
3-halobenzoic acids and derivatives O-sulfanylbenzoic acids and derivatives Benzamides Thiophenols Benzoyl derivatives Bromobenzenes Aryl bromides Secondary carboxylic acid amides Primary carboxylic acid amides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Organopnictogen compounds Thiols Organobromides Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Beta amino acid or derivatives - O-sulfanylbenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Thiophenol - Benzoyl - Bromobenzene - Halobenzene - Benzenoid - Aryl halide - Aryl bromide - Monocyclic benzene moiety - Secondary carboxylic acid amide - Primary carboxylic acid amide - Carboxamide group - Arylthiol - Organooxygen compound - Organic oxide - Carbonyl group - Organosulfur compound - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic homomonocyclic 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