Compound Identification
SMILES
CCNC(=O)[C@@H](NC(=O)[C@H](C)NC[C@H](CC1=CC=CC=C1)NC(=O)C1=CC(=CC(=C1)C(=O)N[C@H](C)C1=CC=C(Br)C=C1)N(C)C(=O)CCOC)C(C)C
InChIKey
InChIKey=BLHBWRSEMLDIRR-BCTRNXGFSA-N
Formula
C40H53BrN6O6
Mass
793.804
Taxonomic Classification
Taxonomy Tree
-
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
N-benzylbenzamides Valine and derivatives Acylaminobenzoic acid and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides Alanine and derivatives Amphetamines and derivatives Anilides Benzoyl derivatives Aralkylamines Bromobenzenes N-acyl amines Aryl bromides Tertiary carboxylic acid amides Secondary carboxylic acid amides Dialkylamines Dialkyl ethers Organopnictogen compounds Hydrocarbon derivatives Organic oxides Organobromides Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-dipeptide - N-benzylbenzamide - Acylaminobenzoic acid or derivatives - Valine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alanine or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - Benzamide - Benzoic acid or derivatives - Anilide - Benzoyl - Aralkylamine - Bromobenzene - Halobenzene - Fatty acyl - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - N-acyl-amine - Fatty amide - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Secondary amine - Dialkyl ether - Secondary aliphatic amine - Ether - Carbonyl group - Hydrocarbon derivative - Organohalogen compound - Organic oxygen compound - Organobromide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organopnictogen compound - Amine - 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