Compound Identification
SMILES
COC1=C(OC)C=C(CCNC(=O)[C@H](C(C)C)N(C)C(=O)C(=O)CC2=CC(Cl)=CC=C2)C=C1
InChIKey
InChIKey=NWHQSFAVNGBJSG-QHCPKHFHSA-N
Formula
C25H31ClN2O5
Mass
474.98
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 Valine 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
Valine and derivatives
Alternative Parents
Dimethoxybenzenes Phenoxy compounds Anisoles Chlorobenzenes Alkyl aryl ethers N-acyl amines Aryl chlorides Tertiary carboxylic acid amides Secondary carboxylic acid amides Ketones Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Valine or derivatives - Dimethoxybenzene - O-dimethoxybenzene - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Benzenoid - Fatty acyl - Aryl chloride - Aryl halide - Monocyclic benzene moiety - N-acyl-amine - Fatty amide - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Carboxamide group - Ketone - Ether - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as valine and derivatives. These are compounds containing valine or a derivative thereof resulting from reaction of valine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available