Compound Identification
SMILES
CC(C)[C@H](NC(=O)[C@H](NCC1=CC=CC=C1)[C@H](O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](NC(=O)OCC1=CC=CC=C1)C(C)C)C(=O)NCC1=CC=C(Br)C=C1
InChIKey
InChIKey=NDDOZLXOQJVCBT-NREVGYPESA-N
Formula
C43H52BrN5O6
Mass
814.822
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
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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
Valine and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides Phenylbutylamines Amphetamines and derivatives Benzyloxycarbonyls Phenylmethylamines Benzylamines Aralkylamines Bromobenzenes Aryl bromides N-acyl amines Carbamate esters Organic carbonic acids and derivatives Secondary carboxylic acid amides Secondary alcohols Dialkylamines Carbonyl compounds Organic oxides Organobromides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-dipeptide - N-acyl-alpha amino acid or derivatives - Valine or derivatives - Alpha-amino acid amide - Phenylbutylamine - Alpha-amino acid or derivatives - Benzyloxycarbonyl - N-substituted-alpha-amino acid - Amphetamine or derivatives - Benzylamine - Phenylmethylamine - Aralkylamine - Bromobenzene - Halobenzene - Aryl bromide - Fatty acyl - Benzenoid - Aryl halide - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Carbamic acid ester - Carbonic acid derivative - Amino acid or derivatives - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Secondary amine - Secondary aliphatic amine - Carbonyl group - Organooxygen compound - Organopnictogen compound - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Amine - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic homomonocyclic 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