Compound Identification
SMILES
N[C@@H](CSCC1=C(SC2=C(C=O)N3[C@H](SC2)[C@H](NC(=O)C(=N\O)\C2=C(Cl)SC(N)=N2)C3=O)C=CN=C1)C(N)=O
InChIKey
InChIKey=SVQIHNUEILTEKH-KUXNFSIJSA-N
Formula
C21H21ClN8O5S4
Mass
629.14
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
-
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
N-acyl-alpha amino acids and derivatives
Alternative Parents
Alpha amino acid amides Cysteine and derivatives Cephems 2,4,5-trisubstituted thiazoles Aryl thioethers 1,3-thiazines Vinylogous thioesters 2-amino-1,3-thiazoles Aryl chlorides Pyridines and derivatives Ketoximes Heteroaromatic compounds Tertiary carboxylic acid amides Azetidines Thioenol ethers Primary carboxylic acid amides Secondary carboxylic acid amides Dialkylthioethers Sulfenyl compounds Azacyclic compounds Thiohemiaminal derivatives Monoalkylamines Hydrocarbon derivatives Aldehydes Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Cysteine or derivatives - Cephem - Aryl thioether - 2,4,5-trisubstituted 1,3-thiazole - Meta-thiazine - Aryl chloride - Aryl halide - 1,3-thiazol-2-amine - Vinylogous thioester - Pyridine - Heteroaromatic compound - Ketoxime - Tertiary carboxylic acid amide - Thiazole - Azole - Beta-lactam - Lactam - Primary carboxylic acid amide - Thioenolether - Azetidine - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Hemithioaminal - Thioether - Primary amine - Amine - Carbonyl group - Organic oxide - Aldehyde - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Primary aliphatic amine - Organosulfur compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available