Compound Identification
SMILES
COC(=O)C(CC1=CC=CC=C1)N=C(O)C(CC([NH-])=O)N=C(O)C(CC(C)C)N=C(O)C(N=C(O)C(C)[NH+]=C(O)CCCCC(=O)OCC1CCN2CCC(CO)[NH+]=C2N1)C(C)O
InChIKey
InChIKey=HWNQSVMLIZFVPA-UHFFFAOYSA-O
Formula
C42H66N9O12
Mass
889.04
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
- Level 5 Peptides
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Subclass
Amino acids, peptides, and analogues
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Class
Carboxylic acids and derivatives
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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
Not available
Direct Parent
Peptides
Alternative Parents
Phenylalanine and derivatives Alpha amino acid esters N-acyl-alpha amino acids and derivatives Amphetamines and derivatives Fatty acid esters Hydropyrimidines Dicarboxylic acids and derivatives Diazinanes Methyl esters Secondary alcohols Guanidines Azacyclic compounds Carbene-type 1,3-dipolar compounds Carboximidamides Carboximidic acids Primary alcohols Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Amines Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha peptide - Phenylalanine or derivatives - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Amphetamine or derivatives - Fatty acid ester - Monocyclic benzene moiety - 1,4,5,6-tetrahydropyrimidine - Hydropyrimidine - Benzenoid - 1,3-diazinane - Dicarboxylic acid or derivatives - Fatty acyl - Methyl ester - Secondary alcohol - Carboxylic acid ester - Guanidine - Carboximidic acid - Carboximidic acid derivative - Azacycle - Organoheterocyclic compound - Carbene-type 1,3-dipolar compound - Carboximidamide - Organic salt - Amine - Organic oxygen compound - Organic nitrogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.
External Descriptors
Not available