Compound Identification
SMILES
CC1(C)S[C@@H]2[C@H](NC(=O)COC3=CC=CC=C3)C(=O)N2[C@H]1C(O)=O.CC(C)C1=CC2=C(C=C1)[C@@]1(C)CCC[C@@](C)(CNCCNC[C@@]3(C)CCC[C@@]4(C)C3CCC3=C4C=CC(=C3)C(C)C)C1CC2
InChIKey
InChIKey=XUJMMHWQEXOHDC-XRNVITRASA-N
Formula
C58H82N4O5S
Mass
947.38
Taxonomic Classification
Taxonomy Tree
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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
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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 Diterpenoids Hydrophenanthrenes N-acyl-alpha amino acids and derivatives Tetralins Cumenes Phenoxy compounds Phenol ethers Alkyl aryl ethers Aralkylamines Tertiary carboxylic acid amides Thiazolidines Secondary carboxylic acid amides Azetidines Monocarboxylic acids and derivatives Dialkylthioethers Dialkylamines Thiohemiaminal derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Alpha-dipeptide - Abietane diterpenoid - Diterpenoid - Penicillin - Hydrophenanthrene - Phenanthrene - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Tetralin - Cumene - Phenoxy compound - Penam - Phenol ether - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Thiazolidine - Tertiary carboxylic acid amide - Beta-lactam - Carboxamide group - Secondary carboxylic acid amide - Lactam - Azetidine - Azacycle - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Secondary amine - Ether - Dialkylthioether - Carboxylic acid - Thioether - Hemithioaminal - Organoheterocyclic compound - Amine - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen 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