Compound Identification
SMILES
COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C1=NC=C(C1)C1=CC(CO)=C(C=C1)C1=CC=C(C=C1)C1=CN=C(N1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C
InChIKey
InChIKey=QJNDZCOASLNRBJ-BQYLNSIHSA-N
Formula
C42H53N7O7
Mass
767.928
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
-
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
Alpha amino acid amides Biphenyls and derivatives Phenylimidazoles N-acylpyrrolidines Benzyl alcohols Tertiary carboxylic acid amides Methylcarbamates Heteroaromatic compounds Ketimines Tertiary amines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Valine or derivatives - Alpha-amino acid amide - Biphenyl - 4-phenylimidazole - 5-phenylimidazole - Benzyl alcohol - N-acylpyrrolidine - Monocyclic benzene moiety - Benzenoid - Methylcarbamate - Azole - Pyrrolidine - Imidazole - Heteroaromatic compound - Carbamic acid ester - Tertiary carboxylic acid amide - Carboxamide group - Ketimine - Tertiary amine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Imine - Amine - Organic nitrogen compound - Carbonyl group - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic alcohol - Organonitrogen compound - Organooxygen compound - Primary alcohol - 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