Compound Identification
SMILES
CC1(C)SC2C(NC(=O)COC3=CC=CC=C3)C(=O)N2C1C(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-MPGZMCJKSA-N
Formula
C58H82N4O5S
Mass
947.38
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 Diterpenoids Hydrophenanthrenes N-acyl-alpha amino acids and derivatives Tetralins Phenoxy compounds Phenol ethers Alkyl aryl ethers Aralkylamines Thiazolidines Tertiary carboxylic acid amides Secondary carboxylic acid amides Azetidines Thiohemiaminal derivatives Azacyclic compounds Carboxylic acids Dialkylamines Monocarboxylic acids and derivatives Dialkylthioethers Organic oxides Carbonyl compounds Organopnictogen compounds Hydrocarbon derivatives
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 - Phenoxy compound - Penam - Phenol ether - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Thiazolidine - Beta-lactam - Secondary carboxylic acid amide - Azetidine - Carboxamide group - Lactam - Secondary amine - Thioether - Hemithioaminal - Dialkylthioether - Carboxylic acid - Secondary aliphatic amine - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Amine - Organonitrogen compound - Organooxygen 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