Compound Identification
SMILES
CC[C@H](C)[C@@H](NC(=O)[C@H](O)CC1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)N1[C@H]2C[C@@H](CC[C@H]2C[C@H]1C(=O)NCCCCN=C(NC(=O)OCC1=CC=CC=C1)NC(=O)OCC1=CC=CC=C1)OS(O)(=O)=O
InChIKey
InChIKey=HTHBUNYWXWZUCS-OPNVRVOBSA-N
Formula
C52H64N6O13S
Mass
1013.17
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
-
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
Isoleucine and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides Benzyloxycarbonyls Indoles and derivatives Pyrrolidinecarboxamides N-acylpyrrolidines Phenol ethers Phenoxy compounds Alkyl aryl ethers Alkyl sulfates Fatty amides Sulfuric acid monoesters Carbamate esters Tertiary carboxylic acid amides Secondary alcohols Secondary carboxylic acid amides Guanidines Carboximidamides Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-dipeptide - Isoleucine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Indole or derivatives - Pyrrolidine-2-carboxamide - Pyrrolidine carboxylic acid or derivatives - Phenol ether - N-acylpyrrolidine - Phenoxy compound - Alkyl aryl ether - Benzenoid - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Fatty acyl - Fatty amide - Monocyclic benzene moiety - Pyrrolidine - Organic sulfuric acid or derivatives - Carbamic acid ester - Tertiary carboxylic acid amide - Carboxamide group - Guanidine - Secondary carboxylic acid amide - Secondary alcohol - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Ether - Organic nitrogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen 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