Structure Information
Structure

Compound Identification

SMILES

CNC(=O)[C@@H](NC(=O)[C@H](OCC1=CC=C(C=C1)C1=CC=CC=N1)[C@H](O)[C@@H](O)[C@@H](OCC1=CC=C(C=C1)C1=CC=CC=N1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C

InChIKey

InChIKey=KBBBMHGFCVYISD-CXPJILFNSA-N

Formula

C42H52N6O8

Mass

768.912

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Subclass

Amino acids, peptides, and analogues

Intermediate Tree Nodes

Amino acids and derivatives - Alpha amino acids and derivatives

Direct Parent

N-acyl-alpha amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Valine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - 2-phenylpyridine - Benzylether - Monocyclic benzene moiety - Fatty amide - Monosaccharide - N-acyl-amine - Fatty acyl - Benzenoid - Pyridine - Heteroaromatic compound - 1,2-diol - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Organoheterocyclic compound - Azacycle - Ether - Dialkyl ether - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.

External Descriptors

Not available

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