Compound Identification
SMILES
CN1C=C(C(=O)N(C)C1=O)C1=CC=C(C[C@H](NC(=O)C2(C)CCCO2)C(O)=O)C=C1
InChIKey
InChIKey=RFMSWAROVGCZOJ-BJQOMGFOSA-N
Formula
C21H25N3O6
Mass
415.446
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
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Level 6
Alpha amino acids and derivatives
- Level 7 Phenylalanine and derivatives
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Level 6
Alpha amino acids and derivatives
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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
N-acyl-L-alpha-amino acids Phenylpyrimidines Phenylpropanoic acids Amphetamines and derivatives Pyrimidones Hydropyrimidines Oxolanes Heteroaromatic compounds Vinylogous amides Ureas Secondary carboxylic acid amides Lactams Oxacyclic compounds Azacyclic compounds Carboxylic acids Dialkyl ethers Monocarboxylic acids and derivatives Organonitrogen compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylalanine or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - 5-phenylpyrimidine - 3-phenylpropanoic-acid - Amphetamine or derivatives - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - Pyrimidine - Benzenoid - Heteroaromatic compound - Oxolane - Vinylogous amide - Urea - Secondary carboxylic acid amide - Carboxamide group - Lactam - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid - Dialkyl ether - Monocarboxylic acid or derivatives - Ether - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic 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