Structure Information
Structure

Compound Identification

SMILES

CC1=C(C)C(C)=C(C=C1)S(=O)(=O)N[C@](CCCN=C(N)N)(OCC1=CC=CC=C1)C(=O)C1C(=O)N([C@@H](C(OCC2=CC=CC=C2)C(O)=O)C(=O)N[C@@](CCCCN)(C(=O)OCC2=CC=CC=C2)C(=O)OC(C)(C)C)C1=O

InChIKey

InChIKey=CMZXUTAQOJVUMS-SLXBTNOSSA-N

Formula

C54H67N7O14S

Mass

1070.23

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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

Aspartic acid and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Aspartic acid or derivatives - N-acyl-alpha amino acid or derivatives - Disaccharide - N-linked disaccharide - Benzyloxycarbonyl - Benzenesulfonamide - Benzenesulfonyl group - Benzylether - Tricarboxylic acid or derivatives - Fatty acid ester - N-acyl-amine - Organosulfonic acid amide - Fatty acyl - Fatty amide - Benzenoid - 1,3-dicarbonyl compound - Monocyclic benzene moiety - Beta-lactam - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Dicarboximide - Sulfonyl - Aminosulfonyl compound - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Ketone - Azetidine - Amino acid - Guanidine - Tertiary amine - Lactam - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid - Dialkyl ether - Carboximidamide - Ether - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Amine - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as aspartic acid and derivatives. These are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

External Descriptors

Not available

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