Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)C(=O)SC1=CC=CC=C1C(=O)NCCC(N)=O
InChIKey
InChIKey=XMQUQRNQFXHQLN-UHFFFAOYSA-N
Formula
C19H20N2O5S
Mass
388.44
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
Dimethoxybenzenes O-sulfanylbenzoic acids and derivatives Benzamides Thiobenzoic acids and derivatives Anisoles Aryl thioethers Benzoyl derivatives Phenoxy compounds Alkyl aryl ethers Secondary carboxylic acid amides Carbothioic S-esters Thioesters Primary carboxylic acid amides Sulfenyl compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Beta amino acid or derivatives - O-dimethoxybenzene - Dimethoxybenzene - O-sulfanylbenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Thiobenzoic acid or derivatives - Phenoxy compound - Aryl thioether - Anisole - Methoxybenzene - Benzoyl - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Carbothioic s-ester - Carboxamide group - Thiocarboxylic acid ester - Primary carboxylic acid amide - Secondary carboxylic acid amide - Ether - Sulfenyl compound - Thiocarboxylic acid or derivatives - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Organic oxide - Aromatic homomonocyclic 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