Compound Identification
SMILES
[Na+].COC1=CC2=C(C=C1)N(CCCCS([O-])(=O)=O)\C(O2)=C/C=C1\N(C(C)C([O-])=O)C(=S)N(C)C1=O
InChIKey
InChIKey=MVLBRVPIRMBWIT-KNFBKHDHSA-L
Formula
C21H23N3NaO8S2
Mass
532.54
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
-
Level 6
Alpha amino acids and derivatives
- Level 7 Alanine and derivatives
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Level 6
Alpha amino acids and derivatives
-
Level 5
Amino acids and derivatives
-
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 - Alpha amino acids and derivatives
Direct Parent
Alanine and derivatives
Alternative Parents
Benzoxazolines Anisoles Alkyl aryl ethers Imidazolidinones Alkanesulfonic acids Sulfonyls Organosulfonic acids Ketene acetals Carboxylic acid salts Thioureas Monocarboxylic acids and derivatives Carboxylic acids Oxacyclic compounds Azacyclic compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alanine or derivatives - Benzoxazoline - Anisole - Phenol ether - Alkyl aryl ether - Imidazolidinone - Benzenoid - Imidazolidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Carboxylic acid salt - Thiourea - Ketene acetal or derivatives - Organic alkali metal salt - Organoheterocyclic compound - Azacycle - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Oxacycle - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic sodium salt - Organic salt - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Amine - Organic oxygen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alanine and derivatives. These are compounds containing alanine or a derivative thereof resulting from reaction of alanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available