Compound Identification
SMILES
C[C@]1(CN2N=NC=C2C(O)=O)[C@@H](C2C(CC2=O)S1(=O)=O)C(O)=O.CCN1CCN(C(=O)NC(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=TVDPZXOHXZOFDH-LMXMBGSKSA-N
Formula
C35H40N8O14S2
Mass
860.87
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 N-carbamoyl-alpha amino acids and derivatives Alpha amino acid amides Phenylacetamides Piperazine carboxamides Dioxopiperazines N-acyl ureas N-alkylpiperazines Thiepanes Dicarboxylic acids and derivatives Sulfones Dicarboximides Triazoles Heteroaromatic compounds Tertiary carboxylic acid amides Thiolanes Thiazolidines Ketones Azetidines Secondary carboxylic acid amides Carboxylic acids Dialkylthioethers Azacyclic compounds Thiohemiaminal derivatives Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Not available
Substituents
Alpha peptide - Penicillin - N-acyl-alpha amino acid or derivatives - N-carbamoyl-alpha-amino acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Phenylacetamide - Piperazine-1-carboxamide - Dioxopiperazine - Penam - Thiepane - N-acyl urea - N-alkylpiperazine - Ureide - Benzenoid - Dicarboxylic acid or derivatives - 1,4-diazinane - Monocyclic benzene moiety - Piperazine - Azole - Beta-lactam - Dicarboximide - Heteroaromatic compound - 1,2,3-triazole - Thiolane - Thiazolidine - Sulfone - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Carbonic acid derivative - Urea - Azetidine - Carboxamide group - Lactam - Ketone - Thioether - Hemithioaminal - Dialkylthioether - Organoheterocyclic compound - Carboxylic acid - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen 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