Compound Identification
SMILES
COCCN(CCC(=O)N1CCN(CC2=CC3=C(OCO3)C=C2)CC1)C1=NC(CC2=CC(OC)=CC=C2)=NS1
InChIKey
InChIKey=BECJUBNBLPLPCD-UHFFFAOYSA-N
Formula
C28H35N5O5S
Mass
553.68
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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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
Benzodioxoles Phenoxy compounds Anisoles Methoxybenzenes Dialkylarylamines Alkyl aryl ethers Aralkylamines N-alkylpiperazines Thiadiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Acetals Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Benzodioxole - Phenoxy compound - Anisole - Phenol ether - Dialkylarylamine - Methoxybenzene - Alkyl aryl ether - N-alkylpiperazine - Aralkylamine - Piperazine - Benzenoid - Monocyclic benzene moiety - 1,4-diazinane - Thiadiazole - Tertiary carboxylic acid amide - Heteroaromatic compound - Azole - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Ether - Azacycle - Dialkyl ether - Acetal - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic 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