Compound Identification
SMILES
C(CNCC1=CC=CC=C1)NCC1=CC=CC=C1.CCOC1=C(C(=O)NC2C3SC(C)(C)C(N3C2=O)C(O)=O)C2=CC=CC=C2C=C1
InChIKey
InChIKey=HYJHTTQKOSMGMX-UHFFFAOYSA-N
Formula
C37H42N4O5S
Mass
654.83
Taxonomic Classification
Taxonomy Tree
-
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 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 Naphthalenecarboxamides N-acyl-alpha amino acids and derivatives Phenylmethylamines Benzylamines Alkyl aryl ethers Aralkylamines Thiazolidines Tertiary carboxylic acid amides Secondary carboxylic acid amides Azetidines Thiohemiaminal derivatives Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Dialkylthioethers Dialkylamines Organic oxides Organopnictogen compounds Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Alpha-dipeptide - Penicillin - 1-naphthalenecarboxylic acid or derivatives - 1-naphthalenecarboxamide - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Naphthalene - Penam - Benzylamine - Phenylmethylamine - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Beta-lactam - Thiazolidine - 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 - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organonitrogen 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
Not available