Compound Identification
SMILES
O=C(CC1=CC=CC=C1)N[C@H]1[C@H]2SCC3=C(N2C1=O)C(=O)O[C@@]31CCCCO1
InChIKey
InChIKey=XPQDLSNXLYAKAK-ZTNFWEORSA-N
Formula
C20H20N2O5S
Mass
400.45
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 Cyclic peptides
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Level 5
Peptides
-
Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
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
Cyclic peptides
Alternative Parents
N-acyl-alpha amino acids and derivatives Phenylacetamides Cephems Ketals 1,3-thiazines Oxanes Butenolides Tertiary carboxylic acid amides Enoate esters Secondary carboxylic acid amides Azetidines Lactones Thiohemiaminal derivatives Azacyclic compounds Oxacyclic compounds Dialkylthioethers Monocarboxylic acids and derivatives Organonitrogen compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cyclic alpha peptide - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Phenylacetamide - Cephem - Ketal - Meta-thiazine - Monocyclic benzene moiety - 2-furanone - Benzenoid - Oxane - Beta-lactam - Dihydrofuran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary carboxylic acid amide - Azetidine - Carboxamide group - Carboxylic acid ester - Lactam - Lactone - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Thioether - Hemithioaminal - Organoheterocyclic compound - Azacycle - Oxacycle - Dialkylthioether - Acetal - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cyclic peptides. These are compounds containing a cyclic moiety bearing a peptide backbone.
External Descriptors
Not available