Structure Information
Structure

Compound Identification

SMILES

CC1(C)S[C@@H]2[C@H](NC(=O)C(NC(=O)N(CCCO)C(=O)C3=CC(O)=C(O)C(Cl)=C3)C3=CC=CC=C3)C(=O)N2[C@H]1C(O)=O

InChIKey

InChIKey=PVWJVIQSDCXIBM-QZISKZHOSA-N

Formula

C27H29ClN4O9S

Mass

621.06

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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

Not available

Direct Parent

Peptides

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Alpha peptide - Penicillin - Valine or derivatives - N-carbamoyl-alpha-amino acid or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Alpha-amino acid amide - Phenylacetamide - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Benzoic acid or derivatives - Penam - 2-chlorophenol - 3-chlorophenol - 2-halophenol - 3-halophenol - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Thia fatty acid - Phenol - Hydroxy fatty acid - Halobenzene - Chlorobenzene - Fatty acyl - Benzenoid - N-acyl-amine - Fatty amide - Monocyclic benzene moiety - N,s-acetal - Thiazolidine - Tertiary carboxylic acid amide - Dicarboximide - Beta-lactam - Carbonic acid derivative - Lactam - Carboxamide group - Azetidine - Azacycle - Chloroalkene - Haloalkene - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Vinyl halide - Vinyl chloride - Hemithioaminal - Thioether - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Alcohol - 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

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