Compound Identification
SMILES
COC1=CC=C(CC(N(CCCNC(=O)OC(C)(C)C)C(=O)C[N+]2=CC=C(SCC3=C(N4[C@H](SC3)[C@@H](NC(=O)CSC3=C(Cl)C=CC(Cl)=C3)C4=O)C(O)=O)C=C2)C(O)=O)C=C1
InChIKey
InChIKey=USPHLGBDXDOYHA-SUFUUGKXSA-O
Formula
C41H46Cl2N5O10S3
Mass
935.92
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Phenylalanine and derivatives
-
Level 6
Alpha amino acids and derivatives
-
Level 5
Amino acids and derivatives
-
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
Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent
Phenylalanine and derivatives
Alternative Parents
Cephalosporins N-acyl-alpha amino acids Phenylpropanoic acids Amphetamines and derivatives Dichlorobenzenes Thiophenol ethers Methoxybenzenes Anisoles Phenoxy compounds Alkyl aryl ethers Alkylarylthioethers Dicarboxylic acids and derivatives Aryl chlorides 1,3-thiazines Pyridinium derivatives Carbamate esters Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Azetidines Carboxylic acids Sulfenyl compounds Azacyclic compounds Thiohemiaminal derivatives Dialkylthioethers Carbonyl compounds Organic oxides Organochlorides Organonitrogen compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylalanine or derivatives - Cephalosporin - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - 3-phenylpropanoic-acid - Amphetamine or derivatives - Cephem - Thiophenol ether - Phenol ether - Phenoxy compound - Aryl thioether - Anisole - Methoxybenzene - 1,4-dichlorobenzene - Alkyl aryl ether - Halobenzene - Chlorobenzene - Alkylarylthioether - Meta-thiazine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Pyridine - Pyridinium - Tertiary carboxylic acid amide - Carbamic acid ester - Beta-lactam - Heteroaromatic compound - Secondary carboxylic acid amide - Azetidine - Carboxamide group - Lactam - Hemithioaminal - Thioether - Sulfenyl compound - Carboxylic acid - Azacycle - Organoheterocyclic compound - Ether - Dialkylthioether - Carbonyl group - Organohalogen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organic oxygen compound - Organochloride - Organosulfur compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available