Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)C(N1CCCC1C(O)=O)C1=CC=C(Br)S1
InChIKey
InChIKey=JHOHEYNRKQIPOR-UHFFFAOYSA-N
Formula
C18H20BrNO4S
Mass
426.33
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
Alpha amino acids and derivatives
- Level 7 Proline and derivatives
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Level 6
Alpha 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 - Alpha amino acids and derivatives
Direct Parent
Proline and derivatives
Alternative Parents
Alpha amino acids Dimethoxybenzenes Pyrrolidine carboxylic acids Phenoxy compounds Anisoles 2,5-disubstituted thiophenes Alkyl aryl ethers Aralkylamines Aryl bromides N-alkylpyrrolidines Heteroaromatic compounds Trialkylamines Amino acids Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Proline or derivatives - Alpha-amino acid - Dimethoxybenzene - O-dimethoxybenzene - Pyrrolidine carboxylic acid or derivatives - Phenoxy compound - Anisole - Pyrrolidine carboxylic acid - Phenol ether - Methoxybenzene - Alkyl aryl ether - 2,5-disubstituted thiophene - Aralkylamine - Aryl halide - Benzenoid - N-alkylpyrrolidine - Aryl bromide - Monocyclic benzene moiety - Pyrrolidine - Thiophene - Heteroaromatic compound - Amino acid - Tertiary aliphatic amine - Tertiary amine - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available