Compound Identification
SMILES
COC(=O)[C@H](CC1=CC=C(C=C1)C1=CC=CC=C1CN(CC(O)=O)S(C)(=O)=O)NC(=O)C1=CC=CC=C1Cl
InChIKey
InChIKey=BCQVUYSIIBYWGC-DEOSSOPVSA-N
Formula
C27H27ClN2O7S
Mass
559.03
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
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Phenylalanine and derivatives
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Level 6
Alpha amino acids and derivatives
-
Level 5
Amino acids and derivatives
-
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
Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent
Phenylalanine and derivatives
Alternative Parents
Alpha amino acid esters Hippuric acids and derivatives N-acyl-alpha amino acids and derivatives Biphenyls and derivatives 2-halobenzoic acids and derivatives Amphetamines and derivatives Benzoyl derivatives Chlorobenzenes Fatty acid esters Organic sulfonamides Dicarboxylic acids and derivatives Aryl chlorides Organosulfonamides Vinylogous halides Aminosulfonyl compounds Methyl esters Secondary carboxylic acid amides Carboxylic acids Hydrocarbon derivatives Carbonyl compounds Organochlorides Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylalanine or derivatives - Alpha-amino acid ester - Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Biphenyl - Amphetamine or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzamide - Benzoyl - Chlorobenzene - Fatty acid ester - Halobenzene - Aryl chloride - Dicarboxylic acid or derivatives - Aryl halide - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Organosulfonic acid amide - Organic sulfonic acid amide - Methyl ester - Aminosulfonyl compound - Sulfonyl - Organic sulfonic acid or derivatives - Vinylogous halide - Organosulfonic acid or derivatives - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available