Compound Identification
SMILES
CCC(CC)N1C(=O)C2=CC(OC(C)(C)CO)=C3C4=C5C(=C(SCC(NC(C)=O)C(=O)NC(CC6=CC=CC=C6)C(O)=O)C=C6C(=O)N(C(CC)CC)C(=O)C(C=C4)=C56)C4=C3C2=C(C=C4)C1=O
InChIKey
InChIKey=WJPHMKNRPJCFMD-UHFFFAOYSA-N
Formula
C52H54N4O10S
Mass
927.08
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 Anthracenes Phenanthrenes and derivatives N-acyl-alpha amino acids Cysteine and derivatives Alpha amino acid amides Phenylpropanoic acids Isoquinolones and derivatives Amphetamines and derivatives Thiophenol ethers Phenol ethers Pyridinones Alkyl aryl ethers Alkylarylthioethers Heteroaromatic compounds Acetamides Lactams Secondary carboxylic acid amides Sulfenyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Primary alcohols Organic oxides Organopnictogen compounds Carbonyl compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-dipeptide - Phenylalanine or derivatives - Phenanthrene - Anthracene - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Alpha-amino acid amide - Cysteine or derivatives - Isoquinolone - 3-phenylpropanoic-acid - Isoquinoline - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - Phenol ether - Aryl thioether - Thiophenol ether - Alkyl aryl ether - Alkylarylthioether - Pyridinone - Pyridine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Acetamide - Lactam - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Carboxylic acid - Ether - Thioether - Monocarboxylic acid or derivatives - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organosulfur compound - Alcohol - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic 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