Compound Identification
SMILES
NCCC1=CC(O)=C(O)C(SC[C@H](N)C(=O)NCC(O)=O)=C1
InChIKey
InChIKey=PFDOMDWPRBOTDN-QMMMGPOBSA-N
Formula
C13H19N3O5S
Mass
329.37
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
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Level 5
Peptides
- Level 6 Dipeptides
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Level 5
Peptides
-
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
Peptides
Direct Parent
Dipeptides
Alternative Parents
N-acyl-alpha amino acids Alpha amino acid amides Cysteine and derivatives Catecholamines and derivatives Phenethylamines Thiophenol ethers 2-arylethylamines 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkylarylthioethers Aralkylamines Secondary carboxylic acid amides Amino acids Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Monoalkylamines Organic oxides Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-dipeptide - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Cysteine or derivatives - Catecholamine - Alpha-amino acid or derivatives - Phenethylamine - Aryl thioether - Catechol - 2-arylethylamine - Thiophenol ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Amino acid - Sulfenyl compound - Thioether - Carboxylic acid - Monocarboxylic acid or derivatives - Primary amine - Primary aliphatic amine - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Amine - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
External Descriptors
Not available