Compound Identification
SMILES
COC(=O)C(CC1=CN=CN1)NC(=O)C1=CSC(=N1)C1CCN(CC1)C(=O)CCC(=O)C1=CC=C(OC)C=C1
InChIKey
InChIKey=DMXRDEDUJWJRKV-UHFFFAOYSA-N
Formula
C27H31N5O6S
Mass
553.63
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
Alkyl-phenylketones Alpha amino acid esters N-acyl-alpha amino acids and derivatives Butyrophenones N-acylpiperidines 2-heteroaryl carboxamides Thiazolecarboxamides Anisoles Aryl alkyl ketones Benzoyl derivatives Imidazolyl carboxylic acids and derivatives Methoxybenzenes Phenoxy compounds Fatty acid esters Alkyl aryl ethers 2,4-disubstituted thiazoles Heteroaromatic compounds Tertiary carboxylic acid amides Methyl esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Histidine or derivatives - N-acyl-alpha amino acid or derivatives - Alkyl-phenylketone - Alpha-amino acid ester - Butyrophenone - Phenylketone - N-acyl-piperidine - Phenoxy compound - Anisole - Benzoyl - Thiazolecarboxamide - Methoxybenzene - Imidazolyl carboxylic acid derivative - Aryl alkyl ketone - Aryl ketone - 2-heteroaryl carboxamide - Phenol ether - Thiazolecarboxylic acid or derivatives - 2,4-disubstituted 1,3-thiazole - Fatty acid ester - Alkyl aryl ether - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Piperidine - Tertiary carboxylic acid amide - Thiazole - Methyl ester - Azole - Heteroaromatic compound - Imidazole - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Ketone - Azacycle - Monocarboxylic acid or derivatives - Ether - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Organic oxygen 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