Compound Identification
SMILES
OC(=O)CN(CCOCCOCCN(CC(O)=O)C(CC1=CC=C(C=C1)[N+]([O-])=O)C(O)=O)CC(O)=O
InChIKey
InChIKey=WSENFOVNBWMGCX-UHFFFAOYSA-N
Formula
C21H29N3O12
Mass
515.472
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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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
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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
Tetracarboxylic acids and derivatives Phenylpropanoic acids Alpha amino acids Amphetamines and derivatives Nitrobenzenes Nitroaromatic compounds Aralkylamines Trialkylamines Amino acids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Dialkyl ethers Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylalanine or derivatives - Tetracarboxylic acid or derivatives - 3-phenylpropanoic-acid - Alpha-amino acid - Amphetamine or derivatives - Nitrobenzene - Nitroaromatic compound - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Organic nitro compound - Tertiary aliphatic amine - Tertiary amine - Amino acid - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid - Dialkyl ether - Ether - Organic oxoazanium - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic zwitterion - Carbonyl group - Organic salt - Organic oxygen compound - Amine - 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