Compound Identification
SMILES
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CCCOC1=CC2=C(C=C1)C=CC(OCCCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)OC)=C2)C(=O)OC
InChIKey
InChIKey=BPQXHJLXDQVLEH-XQQCWEHOSA-N
Formula
C42H62N6O12
Mass
842.988
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
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
Glutamine and derivatives Isoleucine and derivatives Alpha amino acid esters N-acyl-alpha amino acids and derivatives Alpha amino acid amides Naphthalenes Alkyl aryl ethers Fatty acid esters Dicarboxylic acids and derivatives N-acyl amines Methyl esters Secondary carboxylic acid amides Primary carboxylic acid amides Organic oxides Organonitrogen compounds Carbonyl compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Alpha peptide - Glutamine or derivatives - Isoleucine or derivatives - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Naphthalene - Alkyl aryl ether - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Fatty amide - N-acyl-amine - Benzenoid - Methyl ester - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Primary carboxylic acid amide - Ether - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Aromatic homopolycyclic 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