Compound Identification
SMILES
N[C@@H]1[C@@H]2SCC(C[N+]3=CC=C(N)N3CCO)=C(N2C1=O)C(O)=O
InChIKey
InChIKey=PIHVDRSNPCHIPK-CABZTGNLSA-O
Formula
C13H18N5O4S
Mass
340.38
Taxonomic Classification
Taxonomy Tree
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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 Tertiary carboxylic acid amides Pyrazoles Heteroaromatic compounds Tertiary amines Amino acids Azetidines Thiohemiaminal derivatives Alkanolamines Monocarboxylic acids and derivatives Azacyclic compounds Dialkylthioethers Carboxylic acids Primary alcohols Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Cephem - Meta-thiazine - Beta-lactam - Pyrazole - Tertiary carboxylic acid amide - Azole - Heteroaromatic compound - Tertiary amine - Lactam - Carboxamide group - Azetidine - Amino acid - Dialkylthioether - Carboxylic acid - Hemithioaminal - Thioether - Alkanolamine - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Alcohol - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Primary alcohol - Carbonyl group - Primary amine - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Organic cation - 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