Compound Identification
SMILES
C(CNCC1=CC=CC=C1)NCC1=CC=CC=C1.[H][C@]12SC(C)(C)[C@@]([H])(N1C(=O)[C@@]2([H])N=C(O)COC1=CC=CC=C1)C(O)=O.[H][C@]12SC(C)(C)[C@@]([H])(N1C(=O)[C@@]2([H])N=C(O)COC1=CC=CC=C1)C(O)=O
InChIKey
InChIKey=BBTOYUUSUQNIIY-ANPZCEIESA-N
Formula
C48H56N6O10S2
Mass
941.13
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 Benzylamines Phenol ethers Phenoxy compounds Phenylmethylamines Aralkylamines Alkyl aryl ethers Thiazolidines Tertiary carboxylic acid amides Azetidines Secondary carboxylic acid amides Thiohemiaminal derivatives Monocarboxylic acids and derivatives Dialkylthioethers Dialkylamines Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Alpha-dipeptide - Penicillin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Phenoxy compound - Phenol ether - Benzylamine - Phenylmethylamine - Penam - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Beta-lactam - Thiazolidine - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Lactam - Carboxamide group - Azetidine - Azacycle - Organoheterocyclic compound - Carboxylic acid - Secondary aliphatic amine - Ether - Dialkylthioether - Monocarboxylic acid or derivatives - Hemithioaminal - Thioether - Secondary amine - Amine - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - 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
CHEBI:31973 : benzathine(2+) salt