Compound Identification
SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C1=NC=C(N1)C1=NC2=CC3=C(C=C2S1)N=C(S3)C1=CN=C(N1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C
InChIKey
InChIKey=DTECCUZZMOAKPI-MWPILTKRSA-N
Formula
C40H46F6N10O10S2
Mass
1004.98
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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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 Benzothiazoles N-acylpyrrolidines Benzenoids Methylcarbamates Imidazoles Heteroaromatic compounds Tertiary carboxylic acid amides Alpha-halocarboxylic acids Thiazoles Tertiary amines Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Organofluorides
Molecular Framework
Not available
Substituents
Valine or derivatives - Alpha-amino acid amide - 1,3-benzothiazole - N-acylpyrrolidine - Benzenoid - Methylcarbamate - Imidazole - Azole - Heteroaromatic compound - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid - Carbamic acid ester - Thiazole - Tertiary carboxylic acid amide - Pyrrolidine - Carboxamide group - Tertiary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Organooxygen compound - Organic nitrogen compound - Alkyl halide - Carbonyl group - Alkyl fluoride - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organohalogen compound - Organofluoride - 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