Compound Identification
SMILES
OC1=CC(O)=C2CSC[C@H](NC(=O)[C@H](COC(=O)C2=C1)NC(=O)CCl)C([O-])=O
InChIKey
InChIKey=TTZBSWBOOUMTRX-QWRGUYRKSA-M
Formula
C16H16ClN2O8S
Mass
431.82
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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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
Macrolactams N-acyl-alpha amino acids and derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Chloroacetamides Secondary carboxylic acid amides Carboxylic acid esters Carboxylic acid salts Lactams Lactones Azacyclic compounds Dialkylthioethers Carboxylic acids Oxacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organopnictogen compounds Alkyl chlorides Organonitrogen compounds Organochlorides Organic oxides Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-dipeptide - Macrolactam - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Chloroacetamide - Carboxamide group - Carboxylic acid ester - Carboxylic acid salt - Lactam - Lactone - Secondary carboxylic acid amide - Thioether - Oxacycle - Azacycle - Organoheterocyclic compound - Dialkylthioether - Carboxylic acid - Monocarboxylic acid or derivatives - Alkyl chloride - Organic oxide - Organopnictogen compound - Organohalogen compound - Organic oxygen compound - Carbonyl group - Organochloride - Organic nitrogen compound - Alkyl halide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic anion - Aromatic heteropolycyclic 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