Compound Identification
SMILES
CCOC1=CC=C(CC(N(CCN(CCN(CC(=O)OCC2=CC=C(OC)C=C2)C(CC2=CC=C(OC)C=C2)C(O)=O)CC(O)=O)CC(O)=O)C(O)=O)C=C1
InChIKey
InChIKey=BHOGQUQFGVZKCO-UHFFFAOYSA-N
Formula
C39H49N3O13
Mass
767.829
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
Pentacarboxylic acids and derivatives Alpha amino acid esters Phenylpropanoic acids Alpha amino acids Amphetamines and derivatives Benzyloxycarbonyls Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Aralkylamines Trialkylamines Amino acids Carboxylic acid esters Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylalanine or derivatives - Pentacarboxylic acid or derivatives - Alpha-amino acid ester - 3-phenylpropanoic-acid - Alpha-amino acid - Amphetamine or derivatives - Benzyloxycarbonyl - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Aralkylamine - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Tertiary amine - Amino acid - Tertiary aliphatic amine - Carboxylic acid ester - Ether - Carboxylic acid - Amine - Organic oxide - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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