Compound Identification
SMILES
[Na+].CN1CCN(CC1)C(=O)\C=C\C1=C(N2[C@@H](\C(=C/C3=CC=CC=N3)C2=O)S(=O)(=O)C1)C([O-])=O
InChIKey
InChIKey=PFAIRILKKVBGEV-VGMOSFOJSA-M
Formula
C21H21N4NaO6S
Mass
480.47
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 N-methylpiperazines Pyridines and derivatives 1,3-thiazines Tertiary carboxylic acid amides Sulfones Heteroaromatic compounds Trialkylamines Amino acids Azetidines Carboxylic acid salts Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic sodium salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Cephem - N-methylpiperazine - N-alkylpiperazine - Meta-thiazine - Pyridine - Piperazine - 1,4-diazinane - Sulfone - Tertiary carboxylic acid amide - Beta-lactam - Heteroaromatic compound - Tertiary amine - Amino acid - Tertiary aliphatic amine - Azetidine - Lactam - Carboxamide group - Carboxylic acid salt - Azacycle - Organic alkali metal salt - Carboxylic acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic sodium salt - Amine - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic salt - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic zwitterion - 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