Compound Identification
SMILES
CC1(C)S[C@@H]2[C@H](Br)C(=O)N2[C@H]1C(O)=O.CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](NC(=O)C(N)C1=CC=CC=C1)C2=O
InChIKey
InChIKey=NSZOIZOWOWUYKG-GFZUYOJISA-N
Formula
C30H39BrN4O9S2
Mass
743.69
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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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
Penicillins Valine and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid esters Alpha amino acid amides Phenylacetamides Fatty acid esters Acylals N-acyl amines Dicarboxylic acids and derivatives Thiazolidines Tertiary carboxylic acid amides N,S-acetals Azetidines Sulfenyl compounds Dialkylthioethers Carboxylic acids Azacyclic compounds Acetals Organopnictogen compounds Organobromides Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
Molecular Framework
Not available
Substituents
Alpha peptide - Penicillin - Valine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid ester - Alpha-amino acid amide - Phenylacetamide - Alpha-amino acid or derivatives - Penam - Acylal - Fatty acid ester - Fatty acyl - Benzenoid - N-acyl-amine - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - N,s-acetal - Thiazolidine - Tertiary carboxylic acid amide - Beta-lactam - Lactam - Carboxylic acid ester - Carboxamide group - Azetidine - Azacycle - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Hemithioaminal - Thioether - Carboxylic acid - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Primary aliphatic amine - Carbonyl group - Alkyl halide - Alkyl bromide - 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