Compound Identification
SMILES
CN[C@H](CC(C)C)C(=O)NC1[C@H](O)C2=CC(Cl)=C(OC3=CC4=CC(OC5=C(Cl)C=C(C=C5)[C@@H](O)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)C1=CC(=C(O)C=C1)C1=C(O)C(CNCCNC(=O)CCCCC(=O)NCCCO\N=C(/C(=O)N[C@H]4[C@H]6SCC(C[N+]7=CC=CC(C)=C7)=C(N6C4=O)C([O-])=O)C4=C(Cl)SC(N)=N4)=C(O)C=C1[C@H](NC5=O)C(O)=O)=C3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1C[C@](C)(N)[C@H](O)[C@H](C)O1)C=C2
InChIKey
InChIKey=KNXUHXXOUWNWIB-ISSWIAAHSA-N
Formula
C97H113Cl3N18O31S2
Mass
2197.54
Taxonomic Classification
Taxonomy Tree
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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
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Level 5
Peptides
- Level 6 Oligopeptides
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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
Peptides
Direct Parent
Oligopeptides
Alternative Parents
Cyclic peptides Aminoglycosides Cephalosporins Phenolic glycosides Leucine and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides Diarylethers Disaccharides O-glycosyl compounds 2,4,5-trisubstituted thiazoles Methylpyridines Aralkylamines 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Dicarboxylic acids and derivatives Aryl chlorides Pyridinium derivatives Primary aromatic amines N-acyl amines 1,3-thiazines Oxanes 2-amino-1,3-thiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Carboxylic acid salts Primary carboxylic acid amides Azetidines Secondary carboxylic acid amides 1,2-aminoalcohols Secondary alcohols Amino acids Thiohemiaminal derivatives Polyols Oxacyclic compounds Acetals Azacyclic compounds Dialkylthioethers Dialkylamines Carboxylic acids Organic salts Organic oxides Monoalkylamines Hydrocarbon derivatives Organopnictogen compounds Organochlorides Carbonyl compounds Primary alcohols Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-oligopeptide - Aminoglycoside core - Cyclic alpha peptide - Cephalosporin - Phenolic glycoside - Leucine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Glycosyl compound - O-glycosyl compound - Disaccharide - Diaryl ether - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Cephem - 2,4,5-trisubstituted 1,3-thiazole - 1-hydroxy-4-unsubstituted benzenoid - Aralkylamine - 1-hydroxy-2-unsubstituted benzenoid - Amino saccharide - Methylpyridine - Benzenoid - Aryl halide - Aryl chloride - Fatty acyl - Dicarboxylic acid or derivatives - 1,3-thiazol-2-amine - N-acyl-amine - Oxane - Fatty amide - Meta-thiazine - Pyridinium - Pyridine - Primary aromatic amine - Heteroaromatic compound - Azole - Beta-lactam - Thiazole - Tertiary carboxylic acid amide - Amino acid or derivatives - 1,2-aminoalcohol - Amino acid - Lactam - Azetidine - Secondary carboxylic acid amide - Carboxamide group - Secondary alcohol - Carboxylic acid salt - Primary carboxylic acid amide - Acetal - Oxacycle - Azacycle - Organoheterocyclic compound - Dialkylthioether - Hemithioaminal - Thioether - Secondary amine - Carboxylic acid - Polyol - Secondary aliphatic amine - Ether - Primary aliphatic amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic zwitterion - Alcohol - Organic salt - Organic oxygen compound - Primary amine - Amine - Primary alcohol - Organopnictogen compound - Organooxygen compound - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
External Descriptors
Not available