Compound Identification
SMILES
NS(=O)(=O)C1=C(Cl)C=C2NCNS(=O)(=O)C2=C1.CCOC(=O)C1=C(COCCN)NC(C)=C(C1C1=CC=CC=C1Cl)C(=O)OC.COCCCOC1=C(OC)C=CC(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)=C1
InChIKey
InChIKey=YJDDFLDXUPNQTO-SSCFPSDZSA-N
Formula
C57H86Cl2N8O15S2
Mass
1258.38
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
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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
Delta amino acids and derivatives
Alternative Parents
1,2,4-benzothiadiazine-1,1-dioxides Beta amino acids and derivatives Phenylbutylamines Dihydropyridinecarboxylic acids and derivatives Anisoles Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Chlorobenzenes Aralkylamines N-acyl amines Dicarboxylic acids and derivatives Organosulfonamides Aryl chlorides Methyl esters Aminosulfonyl compounds Enoate esters Vinylogous amides Secondary alcohols 1,2-aminoalcohols Secondary carboxylic acid amides Primary carboxylic acid amides Enamines Dialkylamines Dialkyl ethers Azacyclic compounds Organochlorides Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Delta amino acid or derivatives - 1,2,4-benzothiadiazine-1,1-dioxide - Phenylbutylamine - Beta amino acid or derivatives - Benzothiadiazine - Dihydropyridinecarboxylic acid derivative - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Halobenzene - Dihydropyridine - Aralkylamine - Chlorobenzene - Dicarboxylic acid or derivatives - Benzenoid - Fatty acyl - Organosulfonic acid amide - Fatty amide - Monocyclic benzene moiety - Hydropyridine - N-acyl-amine - Aryl halide - Aryl chloride - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Primary carboxylic acid amide - Secondary carboxylic acid amide - Secondary alcohol - 1,2-aminoalcohol - Carboxamide group - Carboxylic acid ester - Secondary amine - Azacycle - Ether - Enamine - Organoheterocyclic compound - Secondary aliphatic amine - Dialkyl ether - Primary amine - Alcohol - Organic nitrogen compound - Amine - Carbonyl group - Organic oxygen compound - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Primary aliphatic amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as delta amino acids and derivatives. These are compounds containing a carboxylic acid group and an amino group at the C5 carbon atom.
External Descriptors
Not available