Compound Identification
SMILES
COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)CN(C(C)C)C(=O)OC1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=KEBUDFBTAIRMPQ-WFXMLNOXSA-N
Formula
C27H37N5O10
Mass
591.618
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
N-acyl-alpha amino acids and derivatives Alpha amino acid amides Alanine and derivatives Nitrobenzenes N-acylpyrrolidines Phenoxy compounds Nitroaromatic compounds Fatty acid methyl esters N-acyl amines Tertiary carboxylic acid amides Methyl esters Carbamate esters Secondary carboxylic acid amides Ketones Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-dipeptide - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alanine or derivatives - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Nitrobenzene - Nitroaromatic compound - Phenoxy compound - N-acylpyrrolidine - Fatty acid ester - Fatty acid methyl ester - Monocyclic benzene moiety - Fatty amide - Fatty acyl - N-acyl-amine - Benzenoid - Pyrrolidine - Tertiary carboxylic acid amide - Carbamic acid ester - Methyl ester - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid ester - Organic nitro compound - Ketone - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organic zwitterion - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Organic salt - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Aromatic heteromonocyclic 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