Compound Identification
SMILES
COC1=CC=CC=C1C[C@H](NC1=C(C=C(C(N[C@@H](C)C(N)=O)=C1)[N+]([O-])=O)[N+]([O-])=O)C(O)=O
InChIKey
InChIKey=SAJAHFMCYAKLEY-HZMBPMFUSA-N
Formula
C19H21N5O8
Mass
447.404
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
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
Dinitroanilines Alpha amino acid amides Alanine and derivatives Phenylpropanoic acids Amphetamines and derivatives L-alpha-amino acids Nitrobenzenes Nitroaromatic compounds Methoxybenzenes Anisoles Phenoxy compounds Phenylalkylamines Alkyl aryl ethers Secondary alkylarylamines Primary carboxylic acid amides Amino acids Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic salts Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylalanine or derivatives - Dinitroaniline - Alpha-amino acid amide - 3-phenylpropanoic-acid - Alanine or derivatives - Alpha-amino acid - Amphetamine or derivatives - L-alpha-amino acid - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Methoxybenzene - Phenylalkylamine - Aniline or substituted anilines - Anisole - Phenol ether - Secondary aliphatic/aromatic amine - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Carboxamide group - Primary carboxylic acid amide - Organic nitro compound - Amino acid - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Secondary amine - Organic oxide - Organic oxygen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic cation - 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