Compound Identification
SMILES
COC1=CC=C(CN[C@H]([C@H](O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC(=O)OCC2=CC=CC=C2)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NC2=NC3=CC=CC=C3S2)C=C1
InChIKey
InChIKey=CKXVCBLNZYVBOW-NRLRFCMXSA-N
Formula
C44H52N6O7S
Mass
809.0
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
Valine and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides Phenylbutylamines Amphetamines and derivatives Benzyloxycarbonyls Benzothiazoles Anisoles Benzylamines Phenylmethylamines Methoxybenzenes Phenoxy compounds N-arylamides Alkyl aryl ethers Aralkylamines N-acyl amines Heteroaromatic compounds Carbamate esters Thiazoles Secondary carboxylic acid amides Secondary alcohols Organic carbonic acids and derivatives Dialkylamines Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-dipeptide - N-acyl-alpha amino acid or derivatives - Valine or derivatives - Alpha-amino acid amide - Phenylbutylamine - N-substituted-alpha-amino acid - Benzyloxycarbonyl - Alpha-amino acid or derivatives - Amphetamine or derivatives - 1,3-benzothiazole - Benzylamine - Methoxybenzene - N-arylamide - Phenylmethylamine - Anisole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Fatty acyl - Fatty amide - Benzenoid - N-acyl-amine - Heteroaromatic compound - Azole - Carbamic acid ester - Thiazole - Carboxamide group - Amino acid or derivatives - Carbonic acid derivative - Secondary carboxylic acid amide - Secondary alcohol - Organoheterocyclic compound - Azacycle - Ether - Secondary aliphatic amine - Secondary amine - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Alcohol - Amine - Organopnictogen compound - Organic oxygen compound - Organic nitrogen 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