Compound Identification
SMILES
CC1(C)S[C@@H]2[C@H](NC(=O)C(NC(=O)N(CCCO)C(=O)C3=CC(O)=C(O)C(Cl)=C3)C3=CC=CC=C3)C(=O)N2[C@H]1C(O)=O
InChIKey
InChIKey=PVWJVIQSDCXIBM-QZISKZHOSA-N
Formula
C27H29ClN4O9S
Mass
621.06
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
- Level 5 Peptides
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Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
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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
Not available
Direct Parent
Peptides
Alternative Parents
Penicillins Valine and derivatives N-carbamoyl-alpha amino acids and derivatives N-acyl-alpha amino acids Alpha amino acid amides Phenylacetamides 3-halobenzoic acids and derivatives O-chlorophenols M-chlorophenols Benzoyl derivatives Thia fatty acids Hydroxy fatty acids Chlorobenzenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids N-acyl amines Thiazolidines Tertiary carboxylic acid amides N,S-acetals Dicarboximides Organic carbonic acids and derivatives Azetidines Vinyl chlorides Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Chloroalkenes Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alcohols and polyols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha peptide - Penicillin - Valine or derivatives - N-carbamoyl-alpha-amino acid or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Alpha-amino acid amide - Phenylacetamide - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Benzoic acid or derivatives - Penam - 2-chlorophenol - 3-chlorophenol - 2-halophenol - 3-halophenol - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Thia fatty acid - Phenol - Hydroxy fatty acid - Halobenzene - Chlorobenzene - Fatty acyl - Benzenoid - N-acyl-amine - Fatty amide - Monocyclic benzene moiety - N,s-acetal - Thiazolidine - Tertiary carboxylic acid amide - Dicarboximide - Beta-lactam - Carbonic acid derivative - Lactam - Carboxamide group - Azetidine - Azacycle - Chloroalkene - Haloalkene - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Vinyl halide - Vinyl chloride - Hemithioaminal - Thioether - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.
External Descriptors
Not available