Compound Identification
SMILES
CO\N=C(\C(=O)N[C@H]1[C@@H]2SCC(C[N+]3=CC=C(C=C3)C3=CN=CO3)=CN2C1=O)C1=CSC(N)=N1
InChIKey
InChIKey=KDKTUYCSPWUOAY-XYHKKURXSA-O
Formula
C21H20N7O4S2
Mass
498.56
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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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
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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
N-acyl-alpha amino acids and derivatives
Alternative Parents
Cephems 2,4-disubstituted thiazoles 1,3-thiazines Pyridinium derivatives 2-amino-1,3-thiazoles Tertiary carboxylic acid amides Oxazoles Heteroaromatic compounds Secondary carboxylic acid amides Azetidines Dialkylthioethers Oxacyclic compounds Thiohemiaminal derivatives Azacyclic compounds Organic oxides Carbonyl compounds Primary amines Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Cephem - 2,4-disubstituted 1,3-thiazole - Meta-thiazine - 1,3-thiazol-2-amine - Pyridine - Pyridinium - Azole - Beta-lactam - Heteroaromatic compound - Oxazole - Tertiary carboxylic acid amide - Thiazole - Azetidine - Carboxamide group - Lactam - Secondary carboxylic acid amide - Dialkylthioether - Thioether - Organoheterocyclic compound - Hemithioaminal - Oxacycle - Azacycle - Primary amine - Organooxygen compound - Amine - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available