Compound Identification
SMILES
C[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NS(=O)(=O)C1=CC=CC=C1[N+]([O-])=O)C(=O)NC1=NNC(=S)S1
InChIKey
InChIKey=LBXQNROQWCXYOR-JSGCOSHPSA-N
Formula
C20H20N6O6S3
Mass
536.6
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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Level 5
Peptides
- Level 6 Dipeptides
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Level 5
Peptides
-
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
Peptides
Direct Parent
Dipeptides
Alternative Parents
Phenylalanine and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides Alanine and derivatives Amphetamines and derivatives Benzenesulfonamides Benzenesulfonyl compounds Nitrobenzenes N-arylamides Nitroaromatic compounds Fatty amides Organosulfonamides Thiadiazoles Heteroaromatic compounds Aminosulfonyl compounds Secondary carboxylic acid amides Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Carbonyl compounds Organic salts Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-dipeptide - Phenylalanine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alanine or derivatives - Benzenesulfonamide - Amphetamine or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Benzenesulfonyl group - Nitrobenzene - Nitroaromatic compound - N-arylamide - Monocyclic benzene moiety - Benzenoid - Fatty amide - Fatty acyl - Organosulfonic acid amide - Azole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Thiadiazole - Aminosulfonyl compound - Secondary carboxylic acid amide - Carboxamide group - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic salt - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
External Descriptors
Not available