Compound Identification
SMILES
CCN(CC)CCOC(=O)C1=C(Cl)C=C(N)C=C1.CC1(C)SC2C(NC(=O)CSCC=C)C(=O)N2C1C(O)=O
InChIKey
InChIKey=QTSRNJOUSLIETA-UHFFFAOYSA-N
Formula
C26H37ClN4O6S2
Mass
601.17
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
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Level 5
Peptides
- Level 6 Dipeptides
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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
Dipeptides
Alternative Parents
Penicillins N-acyl-alpha amino acids and derivatives Benzoic acid esters 2-halobenzoic acids and derivatives Aminobenzoic acids and derivatives Benzoyl derivatives Aniline and substituted anilines Chlorobenzenes Aryl chlorides Vinylogous halides Thiazolidines Tertiary carboxylic acid amides Azetidines Trialkylamines Carboxylic acid esters Secondary carboxylic acid amides Allyl sulfur compounds Carboxylic acids Sulfenyl compounds Dialkylthioethers Azacyclic compounds Monocarboxylic acids and derivatives Thiohemiaminal derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds Primary amines
Molecular Framework
Not available
Substituents
Alpha-dipeptide - Penicillin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aminobenzoic acid or derivatives - Benzoate ester - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Penam - Aniline or substituted anilines - Benzoyl - Chlorobenzene - Halobenzene - Monocyclic benzene moiety - Benzenoid - Aryl halide - Aryl chloride - Beta-lactam - Vinylogous halide - Tertiary carboxylic acid amide - Thiazolidine - Amino acid or derivatives - Tertiary amine - Allyl sulfur compound - Lactam - Carboxamide group - Carboxylic acid ester - Tertiary aliphatic amine - Azetidine - Secondary carboxylic acid amide - Organoheterocyclic compound - Thioether - Dialkylthioether - Sulfenyl compound - Monocarboxylic acid or derivatives - Hemithioaminal - Azacycle - Carboxylic acid - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
External Descriptors
Not available