Compound Identification
SMILES
CC1=C(C(C)=NO1)C1=NC(CN2CCCN(CC2)C(=O)C2SCCN2C(=O)C2=CC=C(F)C=C2)=NO1
InChIKey
InChIKey=BEZAIVXZIVJDIM-UHFFFAOYSA-N
Formula
C24H27FN6O4S
Mass
514.58
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
- 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
4-halobenzoic acids and derivatives Benzamides Benzoyl derivatives 1,4-diazepanes Aralkylamines Fluorobenzenes Aryl fluorides 1,2,4-oxadiazoles Thiazolidines Tertiary carboxylic acid amides Isoxazoles Heteroaromatic compounds Trialkylamines Thiohemiaminal derivatives Oxacyclic compounds Azacyclic compounds Dialkylthioethers Hydrocarbon derivatives Organofluorides Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - 1,4-diazepane - Diazepane - Fluorobenzene - Aralkylamine - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Thiazolidine - Tertiary carboxylic acid amide - Oxadiazole - 1,2,4-oxadiazole - Isoxazole - Azole - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Thioether - Dialkylthioether - Hemithioaminal - Organoheterocyclic compound - Azacycle - Oxacycle - Amine - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic 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