Compound Identification
SMILES
COC1=CC=CC=C1CNCC1CC2=C(CO1)SC(NC(=O)C(O)=O)=C2C(O)=O
InChIKey
InChIKey=JLODOGSXGLNOKX-UHFFFAOYSA-N
Formula
C19H20N2O7S
Mass
420.44
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
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
Thienopyrans Anisoles Benzylamines Methoxybenzenes N-arylamides Phenoxy compounds Phenylmethylamines Thiophene carboxylic acids Aralkylamines Alkyl aryl ethers Pyrans Heteroaromatic compounds Vinylogous amides Amino acids Secondary carboxylic acid amides Monocarboxylic acids and derivatives Dialkylamines Dialkyl ethers Oxacyclic compounds Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Thienopyran - Phenoxy compound - Anisole - Phenylmethylamine - Phenol ether - Benzylamine - Methoxybenzene - Thiophene carboxylic acid - Thiophene carboxylic acid or derivatives - N-arylamide - Alkyl aryl ether - Aralkylamine - Pyran - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous amide - Thiophene - Carboxamide group - Secondary carboxylic acid amide - Amino acid - Oxacycle - Organoheterocyclic compound - Carboxylic acid - Dialkyl ether - Secondary aliphatic amine - Ether - Monocarboxylic acid or derivatives - Secondary amine - Organic oxygen compound - Amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - 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