Compound Identification
SMILES
C[C@H]1CN2C(=S)NC3=C2C(CN1CC=C(C)C)=C(Cl)C=C3.CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](CC(N)=O)NC(=O)C1=NC2=CC=CC=C2C=C1
InChIKey
InChIKey=BPMZXWASODISMH-ULFDKAISSA-N
Formula
C54H70ClN9O5S
Mass
992.72
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Asparagine 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
Asparagine and derivatives
Alternative Parents
Quinoline carboxamides N-acyl-alpha amino acids and derivatives Alpha amino acid amides 1,4-benzodiazepines Phenylbutylamines Amphetamines and derivatives Pyridinecarboxylic acids and derivatives Piperidinecarboxamides Benzimidazoles 2-heteroaryl carboxamides 1,4-diazepines Aralkylamines Aryl chlorides Imidazolethiones N-acyl amines N-substituted imidazoles Heteroaromatic compounds 1,2-aminoalcohols Primary carboxylic acid amides Secondary alcohols Trialkylamines Thioureas Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Asparagine or derivatives - N-acyl-alpha amino acid or derivatives - Quinoline-2-carboxamide - Alpha-amino acid amide - Phenylbutylamine - 1,4-benzodiazepine - Benzodiazepine - Amphetamine or derivatives - Quinoline - 2-piperidinecarboxamide - Piperidinecarboxamide - Pyridine carboxylic acid or derivatives - Benzimidazole - 2-heteroaryl carboxamide - Para-diazepine - Aralkylamine - N-substituted imidazole - Aryl chloride - N-acyl-amine - Fatty amide - Monocyclic benzene moiety - Benzenoid - Pyridine - Imidazole-2-thione - Piperidine - Fatty acyl - Aryl halide - Heteroaromatic compound - Imidazole - Azole - 1,2-aminoalcohol - Tertiary aliphatic amine - Thiourea - Tertiary amine - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Primary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Amine - Carbonyl group - Organic oxygen compound - Alcohol - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as asparagine and derivatives. These are compounds containing asparagine or a derivative thereof resulting from reaction of asparagine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available