Compound Identification
SMILES
CS(=O)(=O)C1=CC=C(CNC(=O)O[C@@H]2C[C@H](N(C2)C(=O)[C@@H](CCC2=CC=CC=C2)NC(=O)OCC2=CC=CC=C2)C(=O)N[C@@H](CCCCN)C(=O)C2=NC3=CC=CC=C3O2)C=C1
InChIKey
InChIKey=WGECDQPZAHBMBX-FJWQMDKSSA-N
Formula
C45H50N6O10S
Mass
866.99
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
Proline and derivatives Alpha amino acid amides Benzyloxycarbonyls Benzenesulfonyl compounds Benzoxazoles Aryl alkyl ketones Pyrrolidinecarboxamides N-acylpyrrolidines Tertiary carboxylic acid amides Sulfones Oxazoles Carbamate esters Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Monoalkylamines Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-dipeptide - Proline or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Benzenesulfonyl group - Benzoxazole - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Aryl ketone - Aryl alkyl ketone - N-acylpyrrolidine - Benzenoid - Monocyclic benzene moiety - Pyrrolidine - Carbamic acid ester - Tertiary carboxylic acid amide - Sulfonyl - Oxazole - Sulfone - Azole - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Ketone - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Oxacycle - Organonitrogen compound - Primary aliphatic amine - Amine - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Primary amine - 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