Compound Identification
SMILES
[Na+].CC1(C)S[C@@H]2[C@H](NC(=O)[C@H]3OCCC4=CC=CC=C34)C(=O)N2[C@H]1C([O-])=O
InChIKey
InChIKey=MBRCFBBRCPWDNS-JNOSLGQLSA-M
Formula
C18H19N2NaO5S
Mass
398.41
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
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 2-benzopyrans Benzenoids Thiazolidines Tertiary carboxylic acid amides Azetidines Secondary carboxylic acid amides Carboxylic acid salts Oxacyclic compounds Monocarboxylic acids and derivatives Dialkylthioethers Dialkyl ethers Carboxylic acids Thiohemiaminal derivatives Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic sodium salts Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-dipeptide - Penicillin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - 2-benzopyran - Benzopyran - Isochromane - Penam - Benzenoid - Beta-lactam - Thiazolidine - Tertiary carboxylic acid amide - Carboxylic acid salt - Carboxamide group - Secondary carboxylic acid amide - Azetidine - Lactam - Oxacycle - Azacycle - Organic alkali metal salt - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Dialkylthioether - Hemithioaminal - Thioether - Organic nitrogen compound - Organic sodium salt - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic cation - 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