Compound Identification
SMILES
COC(=O)[C@@]12CC[C@H]3CN([C@@H]([C@@H](N1C(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O)C1=CC=CC=C1)[C@@H]23)S(=O)(=O)C1=CC=C(C)C=C1
InChIKey
InChIKey=NZAMWPPXTARBAU-MCLQFJOMSA-N
Formula
C30H28N4O9S
Mass
620.63
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
-
Level 7
N-acyl-alpha amino acids and derivatives
- Level 8 N-acyl-alpha amino acids
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Level 7
N-acyl-alpha amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
-
Level 5
Amino acids and derivatives
-
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 - N-acyl-alpha amino acids and derivatives
Direct Parent
N-acyl-alpha amino acids
Alternative Parents
Alpha amino acid esters N,N-disubstituted p-toluenesulfonamides Phenylpyrrolidines Benzenesulfonamides Benzamides Benzenesulfonyl compounds Nitrobenzenes Pyrrolidine carboxylic acids Benzoyl derivatives N-acylpyrrolidines Nitroaromatic compounds Organosulfonamides Methyl esters Tertiary carboxylic acid amides Pyrroles Sulfonyls Organic oxoazanium compounds Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic zwitterions Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - N,n-disubstituted p-toluenesulfonamide - N-acyl-alpha-amino acid - 2-phenylpyrrolidine - P-toluenesulfonamide - Tosyl compound - Benzenesulfonamide - Benzamide - Benzenesulfonyl group - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Benzoyl - N-acylpyrrolidine - Toluene - Organosulfonic acid amide - Monocyclic benzene moiety - Benzenoid - Pyrrole - Pyrrolidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Methyl ester - Sulfonyl - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic zwitterion - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available