Compound Identification
SMILES
O=C(NC1=CC=NN1)C1=CC=C(NC2=NC3CC=CC=C3N(CCN3CCOCC3)C2=O)C=C1
InChIKey
InChIKey=IDAHAHKSZRKGMN-UHFFFAOYSA-N
Formula
C24H27N7O3
Mass
461.526
Taxonomic Classification
Taxonomy Tree
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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
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Class
Carboxylic acids and derivatives
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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
Benzamides Aniline and substituted anilines Benzoyl derivatives Aminopyrazines Morpholines Imidolactams Tertiary carboxylic acid amides Pyrazoles Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Lactams Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Dialkyl ethers Carboxamidines Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - Aminopyrazine - Monocyclic benzene moiety - Morpholine - Oxazinane - Benzenoid - Imidolactam - Heteroaromatic compound - Azole - Tertiary carboxylic acid amide - Pyrazole - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Lactam - Organic 1,3-dipolar compound - Amidine - Organoheterocyclic compound - Ether - Dialkyl ether - Oxacycle - Carboxylic acid amidine - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Amine - 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