Compound Identification
SMILES
CC1(C)S[C@@H]2[C@H](NC(=O)C3=CC=CC=C3C3=CC=CC=C3C(O)=O)C(=O)N2[C@H]1C(O)=O
InChIKey
InChIKey=WBCAUHBSTJESRM-JTDSTZFVSA-N
Formula
C22H20N2O6S
Mass
440.47
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
Peptides
- Level 6 Dipeptides
-
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
Penicillins N-acyl-alpha amino acids and derivatives Biphenyls and derivatives Benzamides Benzoic acids Benzoyl derivatives Thiazolidines Tertiary carboxylic acid amides Secondary carboxylic acid amides Azetidines Thiohemiaminal derivatives Azacyclic compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-dipeptide - Penicillin - N-acyl-alpha amino acid or derivatives - Biphenyl - Alpha-amino acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Penam - Monocyclic benzene moiety - Benzenoid - Beta-lactam - Thiazolidine - Tertiary carboxylic acid amide - Azetidine - Secondary carboxylic acid amide - Carboxamide group - Lactam - Thioether - Azacycle - Organoheterocyclic compound - Dialkylthioether - Carboxylic acid - Hemithioaminal - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - 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