Compound Identification
SMILES
COC(=O)C(N=C(O)C(CC(C)C)N=C(O)C(N=C(O)CCCOC1=CC2=CC(OCCCC(O)=NC3=CC=C(C)N(CC(O)=NC4=CC=C(C)N(CC(=O)OC(C)(C)C)C4=O)C3=O)=CC=C2C=C1)C(C)C)C(C)C
InChIKey
InChIKey=CXXYGHFEVXZUNL-UHFFFAOYSA-N
Formula
C55H75N7O13
Mass
1042.241
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
Valine and derivatives Alpha amino acid esters N-acyl-alpha amino acids and derivatives Naphthalenes Phenol ethers Pyridinones Alkyl aryl ethers Methylpyridines Dihydropyridines Fatty acid esters Dicarboxylic acids and derivatives Methyl esters Heteroaromatic compounds Lactams Propargyl-type 1,3-dipolar organic compounds Carboximidic acids Azacyclic compounds Organic oxides Carbonyl compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha peptide - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Valine or derivatives - Alpha-amino acid or derivatives - Naphthalene - Phenol ether - Alkyl aryl ether - Dihydropyridine - Fatty acid ester - Methylpyridine - Pyridinone - Benzenoid - Fatty acyl - Pyridine - Dicarboxylic acid or derivatives - Hydropyridine - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Lactam - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidic acid - Carboximidic acid derivative - Ether - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organic oxide - 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