Compound Identification
SMILES
CCCCC1OC2=C(C=CC(=C2)C2=CN=C(N2)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)C2=C(Cl)C3=C(C=CC(=C3)C3=CN=C(N3)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)OC)C(C)C)N12
InChIKey
InChIKey=SUEKOSNCKFFGNW-PGGHRKJDSA-N
Formula
C47H58ClN9O7
Mass
896.49
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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
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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
Valine and derivatives
Alternative Parents
Alpha amino acid amides Indoles N-acylpyrrolidines Substituted pyrroles Aryl chlorides Benzenoids Tertiary carboxylic acid amides Methylcarbamates Imidazoles Heteroaromatic compounds Tertiary amines Oxacyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Valine or derivatives - Alpha-amino acid amide - Indole - Indole or derivatives - N-acylpyrrolidine - Aryl chloride - Aryl halide - Substituted pyrrole - Benzenoid - Methylcarbamate - Azole - Imidazole - Heteroaromatic compound - Pyrrole - Pyrrolidine - Tertiary carboxylic acid amide - Carbamic acid ester - Tertiary amine - Carboxamide group - Oxacycle - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Carbonyl group - Aromatic heteropolycyclic 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