Compound Identification
SMILES
CC(=O)OCC1=C(N2C(SC1)C(NC(=O)C1=CC=C(COC3=C(Cl)C=C(C=C3)[N+]([O-])=O)O1)C2=O)C(O)=O
InChIKey
InChIKey=VRVZBIPNUFPMAH-UHFFFAOYSA-N
Formula
C22H18ClN3O10S
Mass
551.91
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 - Alpha amino acids and derivatives
Direct Parent
N-acyl-alpha amino acids and derivatives
Alternative Parents
Nitrophenyl ethers Cephems Furoic acid and derivatives Nitroaromatic compounds 2-heteroaryl carboxamides Phenol ethers Phenoxy compounds Alkyl aryl ethers Chlorobenzenes 1,3-thiazines Aryl chlorides Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Azetidines Carboxylic acids Azacyclic compounds Oxacyclic compounds Organic oxoazanium compounds Dialkylthioethers Propargyl-type 1,3-dipolar organic compounds Thiohemiaminal derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic zwitterions Organochlorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Nitrophenyl ether - Nitrobenzene - Cephem - 2-heteroaryl carboxamide - Phenol ether - Furoic acid or derivatives - Phenoxy compound - Nitroaromatic compound - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl halide - Benzenoid - Dicarboxylic acid or derivatives - Meta-thiazine - Aryl chloride - Monocyclic benzene moiety - Furan - Tertiary carboxylic acid amide - Beta-lactam - Heteroaromatic compound - Azetidine - Carboxamide group - Carboxylic acid ester - Organic nitro compound - Lactam - C-nitro compound - Secondary carboxylic acid amide - Organic oxoazanium - Thioether - Allyl-type 1,3-dipolar organic compound - Hemithioaminal - Propargyl-type 1,3-dipolar organic compound - Oxacycle - Organic 1,3-dipolar compound - Dialkylthioether - Ether - Organoheterocyclic compound - Carboxylic acid - Azacycle - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Hydrocarbon derivative - Organic nitrogen compound - 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