Compound Identification
SMILES
CNC(=O)C1=C(NC2=NC(NC3=C(OC)C=C(C)C(=C3)N(C)C(=O)CN(C)C)=NC3=C2C=CN3)C=CC=C1F
InChIKey
InChIKey=XARUMHWBCQZUFI-UHFFFAOYSA-N
Formula
C27H31FN8O3
Mass
534.596
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
-
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
2-halobenzoic acids and derivatives Anilides Benzamides Diaminotoluenes Methoxyanilines Pyrrolo[2,3-d]pyrimidines Anisoles Benzoyl derivatives Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Aminopyrimidines and derivatives Fluorobenzenes Imidolactams Aryl fluorides Heteroaromatic compounds Tertiary carboxylic acid amides Pyrroles Vinylogous amides Vinylogous halides Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Secondary amines Hydrocarbon derivatives Carbonyl compounds Organofluorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Pyrrolopyrimidine - Pyrrolo[2,3-d]pyrimidine - Benzamide - Diaminotoluene - Anilide - Methoxyaniline - Benzoyl - Phenol ether - Phenoxy compound - Anisole - Aniline or substituted anilines - Methoxybenzene - Fluorobenzene - Toluene - Alkyl aryl ether - Halobenzene - Aminopyrimidine - Imidolactam - Benzenoid - Monocyclic benzene moiety - Aryl fluoride - Aryl halide - Pyrimidine - Heteroaromatic compound - Tertiary carboxylic acid amide - Vinylogous amide - Vinylogous halide - Pyrrole - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Secondary amine - Ether - Organonitrogen compound - Organooxygen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organofluoride - Carbonyl group - Organohalogen compound - Organic oxide - 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