Compound Identification
SMILES
COC1=CC=CC=C1C(=O)N[C@H](CCSC)C(=O)NC[C@H]([NH+](C)C)C1=CC=CO1
InChIKey
InChIKey=XZRGQPAYKFMQCE-SJORKVTESA-O
Formula
C21H30N3O4S
Mass
420.55
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 Methionine 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
Methionine and derivatives
Alternative Parents
N-acyl-alpha amino acids and derivatives Hippuric acids and derivatives Alpha amino acid amides Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Aralkylamines N-acyl amines Quaternary ammonium salts Heteroaromatic compounds Furans Trialkylamines Secondary carboxylic acid amides Sulfenyl compounds Oxacyclic compounds Dialkylthioethers Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Methionine or derivatives - N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid amide - Benzoic acid or derivatives - Benzamide - Phenol ether - Phenoxy compound - Benzoyl - Methoxybenzene - Anisole - Aralkylamine - Alkyl aryl ether - N-acyl-amine - Fatty amide - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Furan - Quaternary ammonium salt - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Tertiary aliphatic amine - Thioether - Oxacycle - Organoheterocyclic compound - Ether - Dialkylthioether - Sulfenyl compound - Organooxygen compound - Carbonyl group - Amine - Organosulfur compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as methionine and derivatives. These are compounds containing methionine or a derivative thereof resulting from reaction of methionine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available