Compound Identification
SMILES
O.CCN(CC)CCOC(=O)C1=CC=C(N)C=C1.CC1(C)S[C@@H]2[C@H](NC(=O)CC3=CC=CC=C3)C(=O)N2[C@H]1C(O)=O
InChIKey
InChIKey=KZDCMKVLEYCGQX-UDPGNSCCSA-N
Formula
C29H40N4O7S
Mass
588.72
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 N-acyl-alpha amino acids and derivatives Aminobenzoic acids and derivatives Benzoic acid esters Phenylacetamides Aniline and substituted anilines Benzoyl derivatives Tertiary carboxylic acid amides Thiazolidines Carboxylic acid esters Trialkylamines Azetidines Secondary carboxylic acid amides Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Thiohemiaminal derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Primary amines
Molecular Framework
Not available
Substituents
Alpha-dipeptide - Penicillin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aminobenzoic acid or derivatives - Benzoate ester - Phenylacetamide - Benzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - Penam - Monocyclic benzene moiety - Benzenoid - Thiazolidine - Tertiary carboxylic acid amide - Beta-lactam - Tertiary aliphatic amine - Amino acid or derivatives - Tertiary amine - Secondary carboxylic acid amide - Azetidine - Carboxamide group - Carboxylic acid ester - Lactam - Hemithioaminal - Thioether - Dialkylthioether - Organoheterocyclic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Primary amine - 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