Compound Identification
SMILES
[Na+].C[C@]1(CN2C=CN=N2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O.CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2[C@@H]3SC(C)(C)[C@H](N3C2=O)C([O-])=O)C2=CC=CC=C2)C(=O)C1=O
InChIKey
InChIKey=TUPFOYXHAYOHIB-BBYWQAFTSA-M
Formula
C33H38N9NaO12S2
Mass
839.83
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 N-carbamoyl-alpha amino acids and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides Phenylacetamides Piperazine carboxamides Dioxopiperazines N-alkylpiperazines N-acyl ureas Triazoles Thiazolidines Tertiary carboxylic acid amides Sulfones Heteroaromatic compounds Dicarboximides Secondary carboxylic acid amides Carboxylic acid salts Azetidines Thiohemiaminal derivatives Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Alpha peptide - Penicillin - N-carbamoyl-alpha-amino acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Phenylacetamide - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Piperazine-1-carboxamide - Penam - Dioxopiperazine - N-alkylpiperazine - Ureide - N-acyl urea - Benzenoid - Piperazine - 1,4-diazinane - Monocyclic benzene moiety - Heteroaromatic compound - 1,2,3-triazole - Thiazolidine - Tertiary carboxylic acid amide - Sulfone - Dicarboximide - Beta-lactam - Azole - Urea - Secondary carboxylic acid amide - Carbonic acid derivative - Lactam - Carboxylic acid salt - Carboxamide group - Azetidine - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Dialkylthioether - Hemithioaminal - Thioether - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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