Compound Identification
SMILES
CN(C)C(CC1=CN=CN1)C(=O)NC1=CC2=C(C=C1)N=C(SCCC1OCCCO1)S2
InChIKey
InChIKey=KCSPPOHBMZLYJV-UHFFFAOYSA-N
Formula
C21H27N5O3S2
Mass
461.6
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
-
Level 6
Alpha amino acids and derivatives
- Level 7 Histidine 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
Histidine and derivatives
Alternative Parents
Alpha amino acid amides Benzothiazoles N-arylamides Alkylarylthioethers Aralkylamines 1,3-dioxanes Benzenoids Fatty amides Thiazoles Imidazoles Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Sulfenyl compounds Acetals Oxacyclic compounds Azacyclic compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Histidine or derivatives - Alpha-amino acid amide - 1,3-benzothiazole - Aryl thioether - N-arylamide - Aralkylamine - Alkylarylthioether - Meta-dioxane - Fatty amide - Fatty acyl - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Thiazole - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Acetal - Sulfenyl compound - Thioether - Oxacycle - Organic oxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organooxygen compound - Amine - Organosulfur compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as histidine and derivatives. These are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available