Compound Identification
SMILES
OC(=O)C(F)(F)F.CC(=O)NC[C@H]1CN(C(=O)O1)C1=CC(F)=C(C=C1)C1=C(F)C=C(C=C1)N1C[C@H](CNC(=O)[C@@H](N)CC2=CN=CN2)OC1=O
InChIKey
InChIKey=YBYWKSSIHKCUDZ-VZZZFAHMSA-N
Formula
C30H30F5N7O8
Mass
711.603
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 Histidine 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
Histidine and derivatives
Alternative Parents
Alpha amino acid amides Biphenyls and derivatives Aralkylamines Fluorobenzenes Oxazolidinones Aryl fluorides Fatty amides Imidazoles Heteroaromatic compounds Carbamate esters Acetamides Alpha-halocarboxylic acids Secondary carboxylic acid amides Carboxylic acids Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organofluorides Carbonyl compounds Alkyl fluorides Monoalkylamines Organic oxides
Molecular Framework
Not available
Substituents
Histidine or derivatives - Alpha-amino acid amide - Biphenyl - Halobenzene - Fluorobenzene - Aralkylamine - Fatty amide - Oxazolidinone - Aryl fluoride - Benzenoid - Monocyclic benzene moiety - Fatty acyl - Aryl halide - Carbamic acid ester - Alpha-halocarboxylic acid or derivatives - Imidazole - Heteroaromatic compound - Oxazolidine - Acetamide - Azole - Alpha-halocarboxylic acid - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Carbonyl group - Primary amine - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Primary aliphatic amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as histidine and derivatives. These are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available