Compound Identification
SMILES
COC1=CC(C[C@H](NC2=CC=CC(=C2)C2=CC=CC=N2)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC(C)C)B(O)O)=CC(OC)=C1OC
InChIKey
InChIKey=ZZICOHYGCXGTAI-DEIHTGSNSA-N
Formula
C33H45BN4O7
Mass
620.55
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
Phenylalanine and derivatives Valine and derivatives N-acyl-alpha amino acids and derivatives Phenylpyridines Alpha amino acid amides Amphetamines and derivatives Anisoles Aniline and substituted anilines Methoxybenzenes Phenylalkylamines Phenoxy compounds Secondary alkylarylamines Alkyl aryl ethers N-acyl amines Heteroaromatic compounds Secondary carboxylic acid amides Boronic acids Organic metalloid salts Azacyclic compounds Hydrocarbon derivatives Monoalkylboranes Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-dipeptide - Phenylalanine or derivatives - N-acyl-alpha amino acid or derivatives - Valine or derivatives - 2-phenylpyridine - Alpha-amino acid amide - Amphetamine or derivatives - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Pyridine - Fatty acyl - Benzenoid - Heteroaromatic compound - Amino acid or derivatives - Secondary carboxylic acid amide - Boronic acid derivative - Carboxamide group - Boronic acid - Organic metalloid salt - Azacycle - Organoheterocyclic compound - Secondary amine - Ether - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Alkylborane - Amine - Monoalkylborane - Organic metalloid moeity - Organonitrogen compound - 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