Compound Identification
SMILES
CCN(CC)CCOC(=O)C1=C(Cl)C=C(N)C=C1.CC1(C)SC2C(NC(=O)CC3=CC=CC=C3)C(=O)N2C1C(O)=O
InChIKey
InChIKey=BYMRPIPIFHDRKX-UHFFFAOYSA-N
Formula
C29H37ClN4O6S
Mass
605.15
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
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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 2-halobenzoic acids and derivatives Aminobenzoic acids and derivatives Phenylacetamides Benzoic acid esters Aniline and substituted anilines Benzoyl derivatives Chlorobenzenes Aryl chlorides Thiazolidines Tertiary carboxylic acid amides Vinylogous halides Secondary carboxylic acid amides Azetidines Carboxylic acid esters Trialkylamines Thiohemiaminal derivatives Azacyclic compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Organic oxides Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organochlorides 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 - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoate ester - Phenylacetamide - Benzoic acid or derivatives - Penam - Aniline or substituted anilines - Benzoyl - Halobenzene - Chlorobenzene - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Benzenoid - Vinylogous halide - Beta-lactam - Thiazolidine - Tertiary carboxylic acid amide - Tertiary amine - Secondary carboxylic acid amide - Azetidine - Carboxamide group - Carboxylic acid ester - Tertiary aliphatic amine - Lactam - Amino acid or derivatives - Thioether - Hemithioaminal - Dialkylthioether - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Amine - Organic nitrogen compound - Carbonyl group - Primary amine - Hydrocarbon derivative - Organopnictogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - 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