Compound Identification
SMILES
CC(C)[C@@H](NC(C)(C)C=C)C(=O)N1CCC[C@H]1C1=NC(=C(C)O1)C1=NC(C(=O)OCC=C(C)C)=C(C)O1
InChIKey
InChIKey=PFXJYHPNSWNJBP-LEWJYISDSA-N
Formula
C28H40N4O5
Mass
512.651
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
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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 N-acylpyrrolidines 2,4,5-trisubstituted oxazoles Tertiary carboxylic acid amides Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Valine or derivatives - Alpha-amino acid amide - 2,4,5-trisubstituted 1,3-oxazole - N-acylpyrrolidine - Azole - Oxazole - Heteroaromatic compound - Pyrrolidine - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Secondary amine - Oxacycle - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Amine - Aromatic heteromonocyclic 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