Compound Identification
SMILES
CC(C)NC1=C(F)C(NNC(=O)[C@@H](CNC(O)=O)CC2CCCC2)=NC(Cl)=N1.CC(C)NC1=C(F)C(NNC(=O)[C@@H](CNC(=O)OCC2=CC=CC=C2)CC2CCCC2)=NC(Cl)=N1
InChIKey
InChIKey=DFVNUWOKLHDPMD-VCFOMIHMSA-N
Formula
C41H58Cl2F2N12O6
Mass
923.89
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
- Level 6 Beta 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
Direct Parent
Beta amino acids and derivatives
Alternative Parents
Benzyloxycarbonyls 2-halopyrimidines Aminopyrimidines and derivatives Aryl chlorides Imidolactams Aryl fluorides Heteroaromatic compounds Carbamate esters Carboxylic acid hydrazides Carbamic acids Azacyclic compounds Organofluorides Hydrocarbon derivatives Organic oxides Organochlorides Carbonyl compounds Amines
Molecular Framework
Not available
Substituents
Beta amino acid or derivatives - Benzyloxycarbonyl - Aminopyrimidine - 2-halopyrimidine - Halopyrimidine - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Carbamic acid ester - Carbamic acid - Carbamic acid derivative - Carboxylic acid hydrazide - Azacycle - Organoheterocyclic compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organochloride - Amine - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
External Descriptors
Not available