Compound Identification
SMILES
COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@H](F)C[C@H]1C1=NC=C(N1)C1=CC2=C(C=C1)N1C(OC3=C(C=CC(=C3)C3=CN=C(N3)[C@@H]3CC(F)(F)CN3C(=O)[C@@H](NC(=O)OC)C(C)C)C1=C2)C1=CC=CC=C1
InChIKey
InChIKey=BGORMEOUVHLUDW-NFSCHSILSA-N
Formula
C49H52F3N9O7
Mass
936.006
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
Alpha amino acid amides Indoles N-acylpyrrolidines Benzene and substituted derivatives Tertiary carboxylic acid amides Pyrroles Methylcarbamates Imidazoles Heteroaromatic compounds Tertiary amines Oxacyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Valine or derivatives - Alpha-amino acid amide - Indole or derivatives - Indole - N-acylpyrrolidine - Benzenoid - Monocyclic benzene moiety - Methylcarbamate - Heteroaromatic compound - Imidazole - Pyrrole - Carbamic acid ester - Tertiary carboxylic acid amide - Pyrrolidine - Azole - Carboxamide group - Tertiary amine - Oxacycle - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Amine - Organohalogen compound - Organofluoride - Organonitrogen compound - 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