Compound Identification
SMILES
[O-][N+](=O)C1=C(C=CC(Cl)=C1)C1=CC=C(O1)C(=O)NC1(CCNCC1)C(=O)N1CCCN(CC1)C(=O)C1=CC=CS1
InChIKey
InChIKey=LMXWCZJBEGZHKP-UHFFFAOYSA-N
Formula
C27H28ClN5O6S
Mass
586.06
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
-
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
Piperidinecarboxamides Nitrobenzenes Thiophene carboxamides 2-heteroaryl carboxamides Furoic acid and derivatives Nitroaromatic compounds 1,4-diazepanes Chlorobenzenes Aryl chlorides Heteroaromatic compounds Tertiary carboxylic acid amides Secondary carboxylic acid amides Organic oxoazanium compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Dialkylamines Azacyclic compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic zwitterions Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Nitrobenzene - Piperidinecarboxamide - 2-heteroaryl carboxamide - Thiophene carboxylic acid or derivatives - Thiophene carboxamide - Furoic acid or derivatives - Nitroaromatic compound - Halobenzene - Chlorobenzene - 1,4-diazepane - Diazepane - Piperidine - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Furan - Thiophene - Organic nitro compound - Secondary carboxylic acid amide - Carboxamide group - C-nitro compound - Oxacycle - Azacycle - Secondary aliphatic amine - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Secondary amine - Organic oxide - Organic salt - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic zwitterion - Organohalogen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Amine - Aromatic heteromonocyclic 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