Compound Identification
SMILES
COC1=C(OC)C(OC)=C(C[NH+]2CCN(CC2)C(=O)CN2CCSC2=O)C=C1
InChIKey
InChIKey=VAWCTQNOIDHHSS-UHFFFAOYSA-O
Formula
C19H28N3O5S
Mass
410.51
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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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
Alpha amino acids and derivatives
Alternative Parents
Anisoles Benzylamines Methoxybenzenes Phenylmethylamines Phenoxy compounds Alkyl aryl ethers Aralkylamines N-alkylpiperazines Thiazolidines Tertiary carboxylic acid amides Quaternary ammonium salts Thiocarbamic acid derivatives Trialkylamines Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - Phenoxy compound - Anisole - Phenylmethylamine - Benzylamine - Methoxybenzene - Phenol ether - Alkyl aryl ether - Aralkylamine - N-alkylpiperazine - Piperazine - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - Tertiary carboxylic acid amide - Thiazolidine - Quaternary ammonium salt - Carboxamide group - Tertiary aliphatic amine - Thiocarbamic acid derivative - Tertiary amine - Ether - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Amine - Organic oxide - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors
Not available