Compound Identification
SMILES
COC1=CC=CC(CC2=NSC(=N2)N(CCC(=O)N2CCC3(CC2)OCCO3)CC2=CC=CO2)=C1
InChIKey
InChIKey=MBMQGFMHSZZCES-UHFFFAOYSA-N
Formula
C25H30N4O5S
Mass
498.6
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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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
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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
Beta amino acids and derivatives
Alternative Parents
Azaspirodecane derivatives N-acylpiperidines Phenoxy compounds Methoxybenzenes Anisoles Dialkylarylamines Alkyl aryl ethers Ketals Thiadiazoles Tertiary carboxylic acid amides 1,3-dioxolanes Heteroaromatic compounds Furans Oxacyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Azaspirodecane - N-acyl-piperidine - Phenoxy compound - Anisole - Phenol ether - Dialkylarylamine - Methoxybenzene - Alkyl aryl ether - Ketal - Monocyclic benzene moiety - Piperidine - Benzenoid - Thiadiazole - Tertiary carboxylic acid amide - Heteroaromatic compound - Azole - Furan - Meta-dioxolane - Carboxamide group - Azacycle - Acetal - Oxacycle - Organoheterocyclic compound - Ether - Organic nitrogen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - 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