Compound Identification
SMILES
CC1=C(N2CC=C[C@]34S[C@@]5(C)\C=C/CCCOC(=O)[C@H]5[C@H]3C(=O)N(CCCCCO)C4C2=O)C(Cl)=CC=C1
InChIKey
InChIKey=ADUFFZGDFCJRTD-VRPJRSODSA-N
Formula
C29H35ClN2O5S
Mass
559.12
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
Toluenes Azepines Chlorobenzenes Pyrrolidine-2-ones Aryl chlorides N-alkylpyrrolidines Thiolanes Tertiary carboxylic acid amides Carboxylic acid esters Lactams Lactones Dialkylthioethers Alkanolamines Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Primary alcohols Hydrocarbon derivatives Organochlorides Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Azepine - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Pyrrolidone - 2-pyrrolidone - Pyrrolidine - Thiolane - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactam - Lactone - Thioether - Dialkylthioether - Oxacycle - Monocarboxylic acid or derivatives - Alkanolamine - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organic nitrogen compound - Alcohol - Carbonyl group - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Primary alcohol - Organochloride - Aromatic heteropolycyclic 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