Compound Identification
SMILES
COC1=C(OC)C=C(C(COC(=O)N(C)C(CC2=CC=CC=C2)C(O)=O)=C1)[N+]([O-])=O
InChIKey
InChIKey=FNJAUMNMJVSACJ-UHFFFAOYSA-N
Formula
C20H22N2O8
Mass
418.402
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
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
Phenylpropanoic acids Nitrophenyl ethers Amphetamines and derivatives Benzyloxycarbonyls Dimethoxybenzenes Methoxyanilines Phenoxy compounds Anisoles Nitroaromatic compounds Alkyl aryl ethers Carbamate esters Organic carbonic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboxylic acids Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylalanine or derivatives - 3-phenylpropanoic-acid - Nitrophenyl ether - Dimethoxybenzene - O-dimethoxybenzene - Benzyloxycarbonyl - Amphetamine or derivatives - Nitrobenzene - Methoxyaniline - Phenoxy compound - Methoxybenzene - Anisole - Phenol ether - Nitroaromatic compound - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Carbamic acid ester - C-nitro compound - Organic nitro compound - Carbonic acid derivative - Organic oxoazanium - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - 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