Compound Identification
SMILES
CC[C@H](C)[C@H](N)C(=O)N1N=C(C)C2=C(Cl)C3=C(C=CC(OC)=C3)N=C12
InChIKey
InChIKey=WIQDKBBHMUFXBJ-FVMDXXJSSA-N
Formula
C18H21ClN4O2
Mass
360.84
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 Isoleucine 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
Isoleucine and derivatives
Alternative Parents
Chloroquinolines Pyrazolopyridines Anisoles Alkyl aryl ethers Pyridines and derivatives Aryl chlorides Pyrazoles Heteroaromatic compounds Azacyclic compounds Organochlorides Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoleucine or derivatives - Haloquinoline - Chloroquinoline - Quinoline - Pyrazolopyridine - Anisole - Phenol ether - Alkyl aryl ether - Aryl chloride - Aryl halide - Benzenoid - Pyridine - Heteroaromatic compound - Azole - Pyrazole - Azacycle - Ether - Organoheterocyclic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Primary aliphatic amine - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Primary amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoleucine and derivatives. These are compounds containing isoleucine or a derivative thereof resulting from reaction of isoleucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available