Compound Identification
SMILES
COC1=CC=C(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)C2=CC=C(C)C=C2)C(O)=O)C=C1
InChIKey
InChIKey=IKBHZIKUYVHPII-PMACEKPBSA-N
Formula
C22H26N2O6S
Mass
446.52
Taxonomic Classification
Taxonomy Tree
-
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
Phenylalanine and derivatives Proline and derivatives N,N-disubstituted p-toluenesulfonamides N-acyl-L-alpha-amino acids Alpha amino acid amides Phenylpropanoic acids Amphetamines and derivatives Benzenesulfonamides Benzenesulfonyl compounds Phenoxy compounds Methoxybenzenes Pyrrolidinecarboxamides Anisoles Alkyl aryl ethers Organosulfonamides Sulfonyls Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-dipeptide - Phenylalanine or derivatives - N-acyl-alpha amino acid or derivatives - N,n-disubstituted p-toluenesulfonamide - Proline or derivatives - N-acyl-alpha-amino acid - N-acyl-l-alpha-amino acid - Alpha-amino acid amide - 3-phenylpropanoic-acid - P-toluenesulfonamide - Alpha-amino acid or derivatives - Amphetamine or derivatives - Tosyl compound - Benzenesulfonamide - Benzenesulfonyl group - Phenol ether - Phenoxy compound - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Anisole - Methoxybenzene - Alkyl aryl ether - Toluene - Organosulfonic acid amide - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Pyrrolidine - Carboxamide group - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Organoheterocyclic compound - Azacycle - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic 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