Compound Identification
SMILES
O=C(NCCC1=CC2=C(OCO2)C=C1)C1COCCN1C1=NC(=NC=C1)N1C=CN=C1
InChIKey
InChIKey=WZZMIVLHLZSFPO-UHFFFAOYSA-N
Formula
C21H22N6O4
Mass
422.445
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
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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
Direct Parent
Alpha amino acids and derivatives
Alternative Parents
Benzodioxoles Morpholine carboxylic acids and derivatives Dialkylarylamines Aminopyrimidines and derivatives Benzenoids Imidolactams N-substituted imidazoles Heteroaromatic compounds Secondary carboxylic acid amides Dialkyl ethers Oxacyclic compounds Acetals Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Benzodioxole - Morpholine-3-carboxylic acid or derivatives - Dialkylarylamine - Aminopyrimidine - Morpholine - N-substituted imidazole - Imidolactam - Benzenoid - Oxazinane - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Oxacycle - Ether - Dialkyl ether - Acetal - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors
Not available