Compound Identification
SMILES
CC(C)(O\N=C(/C(=O)N[C@H]1[C@H](NC1=O)C(N)=O)C1=CSC(NC(=O)CCl)=N1)C(=O)OCC1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=TWAYZRHNJXDJIN-MGEJSBKNSA-N
Formula
C22H22ClN7O9S
Mass
595.97
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
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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
Monobactams N-acyl-alpha amino acids and derivatives Benzyloxycarbonyls Nitrobenzenes N-arylamides Nitroaromatic compounds 2,4-disubstituted thiazoles Chloroacetamides Heteroaromatic compounds Secondary carboxylic acid amides Azetidines Carboxylic acid esters Primary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organochlorides Hydrocarbon derivatives Organopnictogen compounds Alkyl chlorides Carbonyl compounds Organic zwitterions Organic salts Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-dipeptide - Monobactam - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Nitrobenzene - Nitroaromatic compound - N-arylamide - 2,4-disubstituted 1,3-thiazole - Monocyclic benzene moiety - Benzenoid - Thiazole - Chloroacetamide - Azole - Heteroaromatic compound - Beta-lactam - Secondary carboxylic acid amide - Primary carboxylic acid amide - C-nitro compound - Organic nitro compound - Lactam - Carboxylic acid ester - Carboxamide group - Azetidine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic oxygen compound - Alkyl halide - Organic salt - Carbonyl group - Alkyl chloride - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organic oxide - Organochloride - 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