Compound Identification
SMILES
CC(=O)NC1=CC=CC=C1OC(CCC1=CC=CC=C1)C(=O)N[C@]1(C)[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O
InChIKey
InChIKey=HFKJKGVEKNWSQK-XIBQAUCFSA-N
Formula
C27H31N3O6S
Mass
525.62
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
Penicillins N-acyl-alpha amino acids and derivatives Acetanilides N-acetylarylamines Phenol ethers Phenoxy compounds Alkyl aryl ethers N-acyl amines Monosaccharides Tertiary carboxylic acid amides Thiazolidines Acetamides Secondary carboxylic acid amides Azetidines Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Azacyclic compounds Thiohemiaminal derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-dipeptide - Penicillin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Acetanilide - N-acetylarylamine - Anilide - Phenoxy compound - Penam - Phenol ether - N-arylamide - Alkyl aryl ether - Monocyclic benzene moiety - Fatty amide - Monosaccharide - N-acyl-amine - Fatty acyl - Benzenoid - Tertiary carboxylic acid amide - Thiazolidine - Beta-lactam - Acetamide - Secondary carboxylic acid amide - Azetidine - Carboxamide group - Lactam - Monocarboxylic acid or derivatives - Hemithioaminal - Ether - Carboxylic acid - Organoheterocyclic compound - Dialkylthioether - Thioether - Azacycle - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - 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