Compound Identification
SMILES
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)C#CC3=CC=C(NSC4=CC=CC=C4[N+]([O-])=O)C=C3)C3=CC=CC=C3)C(=O)N2[C@H]1C(O)=O
InChIKey
InChIKey=SQOIZMOKGUCZMU-NANFOGFDSA-N
Formula
C31H27N5O7S2
Mass
645.71
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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 N-acyl-alpha amino acids and derivatives Alpha amino acid amides Phenylacetamides Nitrobenzenes Nitroaromatic compounds Thiazolidines Tertiary carboxylic acid amides Azetidines Secondary carboxylic acid amides Thiohemiaminal derivatives Azacyclic compounds Sulfenyl compounds Carboxylic acids Dialkylthioethers Monocarboxylic acids and derivatives Organic oxoazanium compounds Organosulfenic acid amides Propargyl-type 1,3-dipolar organic compounds Carbonyl compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha peptide - Penicillin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Phenylacetamide - Alpha-amino acid or derivatives - Nitrobenzene - Penam - Nitroaromatic compound - Benzenoid - Monocyclic benzene moiety - Beta-lactam - Thiazolidine - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Secondary carboxylic acid amide - C-nitro compound - Organic nitro compound - Azetidine - Azacycle - Organoheterocyclic compound - Carboxylic acid - Dialkylthioether - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Sulfenyl compound - Hemithioaminal - Organosulfenic acid amide - Thioether - Organic oxygen compound - Carbonyl group - Organic salt - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - 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