Compound Identification
SMILES
NC1[C@@H]2SCC(COCC(O)C3=CC=CC=C3)=C(N2C1=O)C(O)=O
InChIKey
InChIKey=JBHKAZISODUMQP-QOZQQMKHSA-N
Formula
C16H18N2O5S
Mass
350.39
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
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
Cephems 1,3-thiazines Benzene and substituted derivatives Tertiary carboxylic acid amides Secondary alcohols Amino acids Azetidines Thiohemiaminal derivatives Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Dialkyl ethers Dialkylthioethers Carbonyl compounds Organic oxides Hydrocarbon derivatives Aromatic alcohols Monoalkylamines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Cephem - Meta-thiazine - Monocyclic benzene moiety - Benzenoid - Beta-lactam - Tertiary carboxylic acid amide - Azetidine - Amino acid - Lactam - Carboxamide group - Secondary alcohol - Thioether - Hemithioaminal - Dialkylthioether - Carboxylic acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Dialkyl ether - Azacycle - Ether - Organic nitrogen compound - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Primary amine - Carbonyl group - Aromatic alcohol - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Alcohol - 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