Compound Identification
SMILES
COC1=CC2=C(C=C1)C(O[C@@H]1CC(N(C1)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NC1=CC=CC=C1C(=O)NS(=O)(=O)C1=CC=CC=C1)=CC(=N2)C1=CC=CC=C1
InChIKey
InChIKey=JMGFJSHONQYBNU-OPHAOKLGSA-N
Formula
C45H49N5O9S
Mass
835.97
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
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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
Phenylquinolines Valine and derivatives Proline and derivatives Acylaminobenzoic acid and derivatives Phenylpyridines Alpha amino acid amides Benzenesulfonamides Anilides Benzenesulfonyl compounds Anisoles Pyrrolidinecarboxamides Benzoyl derivatives N-arylamides N-acylpyrrolidines Alkyl aryl ethers Aminosulfonyl compounds Carbamate esters Vinylogous amides Organosulfonic acids and derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-dipeptide - Phenylquinoline - Acylaminobenzoic acid or derivatives - Valine or derivatives - Proline or derivatives - 2-phenylpyridine - Alpha-amino acid amide - Alpha-amino acid or derivatives - Quinoline - Benzenesulfonamide - Benzenesulfonyl group - Benzoic acid or derivatives - Anilide - Phenol ether - N-arylamide - Anisole - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - N-acylpyrrolidine - Benzoyl - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Pyridine - Organic sulfonic acid or derivatives - Pyrrolidine - Organosulfonic acid or derivatives - Sulfonyl - Tertiary carboxylic acid amide - Carbamic acid ester - Aminosulfonyl compound - Vinylogous amide - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Ether - Organoheterocyclic compound - Azacycle - Organosulfur compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen 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