Structure Information
Structure

Compound Identification

SMILES

Cl.CC(C)C[C@@H](CN)NC(=O)C1=C(NC=N1)C(=O)N[C@@H](C)C(=O)CNC[C@H](C)NC(=O)C1=C(NC=N1)C(=O)N[C@@H](CC(O)=O)C(O)=O

InChIKey

InChIKey=IPZMLXVUQSXIEY-ORGRJDPGSA-N

Formula

C27H41ClN10O9

Mass

685.14

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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 - N-acyl-alpha amino acid or derivatives - 2-heteroaryl carboxamide - Imidazolyl carboxylic acid derivative - Imidazole-4-carbonyl group - Dicarboxylic acid or derivatives - Alpha-aminoketone - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Amino acid - Carboxamide group - Secondary carboxylic acid amide - Ketone - Carboxylic acid - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Secondary amine - Organic oxygen compound - Hydrochloride - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Primary aliphatic amine - Primary amine - Organooxygen compound - Organonitrogen compound - 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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