Compound Identification
SMILES
COC(=O)C(CC1=CN=CN1COCC1=CC=CC=C1)NC(=O)OC(C)(C)C
InChIKey
InChIKey=OZTSHWHLUGXROY-UHFFFAOYSA-N
Formula
C20H27N3O5
Mass
389.452
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
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
-
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 esters Imidazolyl carboxylic acids and derivatives Fatty acid esters Benzene and substituted derivatives N-substituted imidazoles Carbamate esters Heteroaromatic compounds Methyl esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Carbonyl compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Histidine or derivatives - Alpha-amino acid ester - Imidazolyl carboxylic acid derivative - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Methyl ester - Carbamic acid ester - Carboxylic acid ester - Carbonic acid derivative - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic 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